Research chemical
CAS Number: 2237216-67-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
145707693
Exact Mass
1516.56932
InChIKey
NRVVADXAKGBEJF-PTAHBCHCSA-N
IUPAC Name
(2S)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(2,4-dinitroanilino)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILES String
COc1ccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)Cc2cc(=O)oc3cc(OC)ccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(N)=O)cc1.O=C(O)C(F)(F)F
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.
Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2 (trifluoroacetate salt) is identified by CAS 2237216-67-8, with molecular formula C68H83F3N16O19S, molecular weight 1517.5, InChIKey NRVVADXAKGBEJF-PTAHBCHCSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
107
H-bond acceptors
35
H-bond donors
16
Rotatable bonds
36
Ring count
7
Aromatic rings
6
Topological polar surface area
529.07 Ų
Computed LogP
2.79
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
Mca-PLAC(p-OMeBz)-WAR(Dpa)-NH2 (trifluoroacetate salt) (CAS 2237216-67-8) is maintained as a commercial cas reference with formula C68H83F3N16O19S, molecular weight 1517. 50 g/mol, PubChem CID 145707693.
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.