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Research chemical

[(5S,11S,14S)-11-{3-[(Diaminomethylidene)amino]propyl}-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid

CAS Number: 153381-95-4

Chemical structure
[(5S,11S,14S)-11-{3-[(Diaminomethylidene)amino]propyl}-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid molecular structure, CAS 153381-95-4

Product details

Identity & specification

Molecular formula
C23H32N8O7
Molecular weight
532.5 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

71312170

Exact Mass

532.239395

InChIKey

HRASXYOWQQTBAQ-RCBQFDQVSA-N

IUPAC Name

2-[(5S,11S,14S)-11-[3-(diaminomethylideneamino)propyl]-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid

SMILES String

C[C@@H]1NC(=O)c2cccc(c2)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

38

H-bond acceptors

15

H-bond donors

10

Rotatable bonds

6

Ring count

2

Aromatic rings

1

Topological polar surface area

244.7 Ų

Computed LogP

-2.74

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

No

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

[(5S,11S,14S)-11-{3-[(Diaminomethylidene)amino]propyl}-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazabicyclo[15. 3.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

Review supplier documentation before handling; for research use only.

Applications & Classification

Commercial Research ChemicalsHeterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarity3',3'-Dimethyl-6-nitro-1'-(2-(pent-4-enoyloxy)ethyl)spiro[chromene-2,2'-indolin]-8-yl pent-4-enoateView related compound →Structure similarity1-[(3S)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylureaView related compound →Structure similarityStachybotrin EView related compound →Structure similarity(4S)-4-[(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-5-methoxy-5-oxopentanoic acidView related compound →Structure similarityVilagletistatView related compound →

Procurement questions

What are the key identifiers for [(5S,11S,14S)-11-{3-[(Diaminomethylidene)amino]propyl}-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid (CAS 153381-95-4)?

[(5S,11S,14S)-11-{3-[(Diaminomethylidene)amino]propyl}-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid is identified by CAS 153381-95-4, with molecular formula C23H32N8O7, molecular weight 532.5, InChIKey HRASXYOWQQTBAQ-RCBQFDQVSA-N.

Can I request a COA for CAS 153381-95-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for [(5S,11S,14S)-11-{3-[(Diaminomethylidene)amino]propyl}-14-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 153381-95-4 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.