2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(4R)-1,3-thiazolidin-4-yl]carbonylamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[[(4R)-1,3-thiazolidin-4-yl]carbonylamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-5-oxo-2-[[(4R)-thiazolidine-4-carbonyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-1,5-dioxo-2-[[oxo-[(4R)-4-thiazolidinyl]methyl]amino]pentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-5-oxo-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-5-keto-2-[[(4R)-thiazolidine-4-carbonyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetic acid Formula: C29H50N8O10S MolecularWeight: 702.8199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C1CSCN1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CSCN1

InChI

InChI=1S/C29H50N8O10S/c1-6-15(4)23(36-26(44)17(7-8-20(30)39)34-27(45)19-12-48-13-33-19)28(46)37-24(16(5)38)29(47)35-18(9-14(2)3)25(43)32-10-21(40)31-11-22(41)42/h14-19,23-24,33,38H,6-13H2,1-5H3,(H2,30,39)(H,31,40)(H,32,43)(H,34,45)(H,35,47)(H,36,44)(H,37,46)(H,41,42)/t15-,16+,17-,18-,19-,23-,24-/m0/s1