6-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid

Systemtic Name: 6-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Openeye Name: 6-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid CAS Name: 6-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: 6-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid Traditional Name: 6-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Formula: C32H50N6O10S MolecularWeight: 710.8386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCCCCC(=O)O)NC(=O)C(CS)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)O)NC(=O)C(CO)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCCCCCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N

InChI

InChI=1S/C32H50N6O10S/c1-3-19(2)27(32(48)34-15-9-5-8-12-25(40)41)38-31(47)24(18-49)37-30(46)23(16-20-10-6-4-7-11-20)36-29(45)22(13-14-26(42)43)35-28(44)21(33)17-39/h4,6-7,10-11,19,21-24,27,39,49H,3,5,8-9,12-18,33H2,1-2H3,(H,34,48)(H,35,44)(H,36,45)(H,37,46)(H,38,47)(H,40,41)(H,42,43)/t19-,21-,22-,23-,24-,27-/m0/s1