(2S)-2-[[(2R)-2-[[(2S)-2-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2R)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2R)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-5-guanidino-2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2R)-3-mercapto-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]propyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]pentanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-5-guanidino-2-[[(2R)-3-mercapto-2-[[(2S)-prolyl]amino]propanoyl]amino]pentanoyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-mercapto-propanoyl]amino]-4-methyl-valeric acid Formula: C29H50N10O10S2 MolecularWeight: 762.8983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C1CCCN1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C29H50N10O10S2/c1-14(2)9-18(28(48)49)37-27(47)20(13-51)39-25(45)17(10-22(41)42)35-21(40)11-34-23(43)16(6-4-8-33-29(30)31)36-26(46)19(12-50)38-24(44)15-5-3-7-32-15/h14-20,32,50-51H,3-13H2,1-2H3,(H,34,43)(H,35,40)(H,36,46)(H,37,47)(H,38,44)(H,39,45)(H,41,42)(H,48,49)(H4,30,31,33)/t15-,16-,17-,18-,19-,20-/m0/s1