H-Cys(1)-Arg-Thr-Ile-Gly-Pro-Ser-Val-Cys(1)-OH
(6S,9S,12S,15R,20R,23S,26S,29S)-15-amino-6-[(2S)-butan-2-yl]-12-[3-(diaminomethylideneamino)propyl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-2,5,8,11,14,22,25,28-octaoxo-23-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24,27-octazabicyclo[27.3.0]dotriacontane-20-carboxylic acid
Molecular Identity
H-Cys(1)-Arg-Thr-Ile-Gly-Pro-Ser-Val-Cys(1)-OH
(6S,9S,12S,15R,20R,23S,26S,29S)-15-amino-6-[(2S)-butan-2-yl]-12-[3-(diaminomethylideneamino)propyl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-2,5,8,11,14,22,25,28-octaoxo-23-propan-2-yl-17,18-dithia-1,4,7,10,13,21,24,27-octazabicyclo[27.3.0]dotriacontane-20-carboxylic acid
PubChem CID: 169450595
2D Structure
Properties
C37H64N12O12S2
Molecular Formula
933.10
Molecular Weight
g/mol
932.4208
Exact Mass
Da
-4.9
XLogP
Drug-like (Lipinski: < 5)
443
TPSA
May have limited oral absorption
13
H-Bond Donors
16
H-Bond Acceptors
1670
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C1C(=O)NCC(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCCN=C(N)N)N)C(=O)O)C(C)C)COIsomeric SMILES
SMILES: CC[C@H](C)[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CCCN=C(N)N)N)C(=O)O)C(C)C)COSynonyms(7)
2414254-70-7CRTorb3142235NVZFEKOKXWXBNJ-KPFCNXGFSA-NHY-P5533CS-0885997H-Cys(1)-Arg-Thr-Ile-Gly-Pro-Ser-Val-Cys(1)-OH
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)-Arg-Thr-Ile-Gly-Pro-Ser-Val-Cys(1)-OH
Loading structure...
Drug Network
Trials and conditions connected to H-Cys(1)-Arg-Thr-Ile-Gly-Pro-Ser-Val-Cys(1)-OH
Loading drug network...