2-[2-[2-[[6-azanyl-2-[[4-azanyl-2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]propanoylamino]ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[2-[[6-azanyl-2-[[4-azanyl-2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]propanoylamino]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[2-[[6-amino-2-[[4-amino-2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[6-amino-2-[[4-amino-2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[2-[[6-amino-2-[[4-amino-2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[2-[[6-amino-2-[[4-amino-2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]-3-methyl-valeric acid Formula: C32H59N9O9S MolecularWeight: 745.93076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCSC)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCSC)N

InChI

InChI=1S/C32H59N9O9S/c1-7-18(4)26(32(49)50)41-25(43)16-36-27(44)19(5)37-29(46)21(10-8-9-12-33)38-31(48)23(15-24(35)42)40-30(47)22(14-17(2)3)39-28(45)20(34)11-13-51-6/h17-23,26H,7-16,33-34H2,1-6H3,(H2,35,42)(H,36,44)(H,37,46)(H,38,48)(H,39,45)(H,40,47)(H,41,43)(H,49,50)