2-[[2-[[2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C44H78N12O18S MolecularWeight: 1095.22472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C44H78N12O18S/c1-20(2)13-25(49-35(64)23(46)9-7-8-11-45)37(66)48-24(10-12-75-6)36(65)53-30(18-58)41(70)55-29(17-57)40(69)50-26(15-32(47)61)38(67)54-31(19-59)42(71)56-34(22(5)60)43(72)51-27(16-33(62)63)39(68)52-28(44(73)74)14-21(3)4/h20-31,34,57-60H,7-19,45-46H2,1-6H3,(H2,47,61)(H,48,66)(H,49,64)(H,50,69)(H,51,72)(H,52,68)(H,53,65)(H,54,67)(H,55,70)(H,56,71)(H,62,63)(H,73,74)