6-azanyl-2-[[6-azanyl-2-[[1-[1-[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]hexanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[6-azanyl-2-[[1-[1-[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]hexanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[6-amino-2-[[1-[1-[2-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[6-amino-2-[[[1-[[1-[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[6-amino-2-[[1-[1-[2-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]propanoylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[6-amino-2-[[1-[1-[2-[2-[[2-amino-4-(methylthio)butanoyl]amino]propanoylamino]-3-methyl-pentanoyl]prolyl]prolyl]amino]hexanoyl]amino]hexanoic acid Formula: C36H65N9O8S MolecularWeight: 784.0218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(C)NC(=O)C(CCSC)N

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(C)NC(=O)C(CCSC)N

InChI

InChI=1S/C36H65N9O8S/c1-5-22(2)29(43-30(46)23(3)40-31(47)24(39)16-21-54-4)35(51)45-20-11-15-28(45)34(50)44-19-10-14-27(44)33(49)41-25(12-6-8-17-37)32(48)42-26(36(52)53)13-7-9-18-38/h22-29H,5-21,37-39H2,1-4H3,(H,40,47)(H,41,49)(H,42,48)(H,43,46)(H,52,53)