H-Cys(1)-Gly-Arg-Arg-Ala-Gly-Gly-Ser-Cys(1)-NH2
(4R,7S,16S,19S,22S,28R)-28-amino-19,22-bis[3-(diaminomethylideneamino)propyl]-7-(hydroxymethyl)-16-methyl-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carboxamide
Molecular Identity
H-Cys(1)-Gly-Arg-Arg-Ala-Gly-Gly-Ser-Cys(1)-NH2
(4R,7S,16S,19S,22S,28R)-28-amino-19,22-bis[3-(diaminomethylideneamino)propyl]-7-(hydroxymethyl)-16-methyl-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carboxamide
PubChem CID: 172408051
2D Structure
Properties
C30H54N16O10S2
Molecular Formula
863.00
Molecular Weight
g/mol
862.3650
Exact Mass
Da
-7.8
XLogP
Drug-like (Lipinski: < 5)
502
TPSA
May have limited oral absorption
15
H-Bond Donors
15
H-Bond Acceptors
1530
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)N)C(=O)N)COIsomeric SMILES
SMILES: C[C@H]1C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)N)C(=O)N)COSynonyms(5)
BMTP-11CHEMBL6164507LOGNWZXNMGWIII-DYKIIFRCSA-NEX-A100241353634-02-2
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
H-Cys(1)-Gly-Arg-Arg-Ala-Gly-Gly-Ser-Cys(1)-NH2
Loading structure...
Drug Network
Trials and conditions connected to H-Cys(1)-Gly-Arg-Arg-Ala-Gly-Gly-Ser-Cys(1)-NH2
Loading drug network...