Research chemical
CAS Number: 1321510-77-3
![2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-[4-[(2S,5S,11S,14R)-11-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxopentanoic acid molecular structure, CAS 1321510-77-3](/structure-images/1321510-77-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
54758468
Exact Mass
976.461409
InChIKey
YFTMDOYELXPJDJ-SJXZDAAPSA-N
SMILES String
N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-[4-[(2S,5S,11S,14R)-11-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxopentanoic acid is identified by CAS 1321510-77-3, with molecular formula C42H64N12O15, molecular weight 977, InChIKey YFTMDOYELXPJDJ-SJXZDAAPSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Heavy atom count
69
H-bond acceptors
27
H-bond donors
15
Rotatable bonds
22
Ring count
3
Aromatic rings
1
Topological polar surface area
415.65 Ų
Computed LogP
-4.65
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.
Structural features
00 g/mol, PubChem CID 54758468.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.