2-[[2-[[2-[[2-[2-[[2-[2-[[1-[2-(2-azanylethanoylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[2-[[2-[2-[[1-[2-(2-azanylethanoylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[[1-[2-[(2-amino-1-oxoethyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-(glycylamino)-3-methyl-butanoyl]prolyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-valeric acid Formula: C40H62N10O19 MolecularWeight: 986.97588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)CN

InChI

InChI=1S/C40H62N10O19/c1-18(2)12-24(40(68)69)48-36(64)21(8-10-30(56)57)46-35(63)20(7-9-29(54)55)47-37(65)23(14-32(60)61)45-27(52)16-42-34(62)22(13-31(58)59)44-28(53)17-43-38(66)25-6-5-11-50(25)39(67)33(19(3)4)49-26(51)15-41/h18-25,33H,5-17,41H2,1-4H3,(H,42,62)(H,43,66)(H,44,53)(H,45,52)(H,46,63)(H,47,65)(H,48,64)(H,49,51)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,68,69)