3-[2-[[2-[[1-(2-azanyl-4-methylsulfanyl-butanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[2-[[2-[[1-(2-azanyl-4-methylsulfanyl-butanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 3-[[2-[[2-[[1-(2-amino-4-methylsulfanyl-butanoyl)pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[[1-[2-amino-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[[1-(2-amino-4-methylsulfanylbutanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[1-[2-amino-4-(methylthio)butanoyl]prolyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C31H47N9O9S MolecularWeight: 721.82478

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)N

InChI

InChI=1S/C31H47N9O9S/c1-50-14-11-19(32)29(47)40-13-6-10-23(40)28(46)38-20(9-5-12-35-31(33)34)26(44)36-17-24(41)37-21(16-25(42)43)27(45)39-22(30(48)49)15-18-7-3-2-4-8-18/h2-4,7-8,19-23H,5-6,9-17,32H2,1H3,(H,36,44)(H,37,41)(H,38,46)(H,39,45)(H,42,43)(H,48,49)(H4,33,34,35)