4-[2-[[1-[2-[[4-azanyl-2-[[2-[[2-[2-[[2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[[5-azanyl-1-[[1-[[4-methyl-1-oxidanylidene-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)

Systemtic Name: 4-[2-[[1-[2-[[4-azanyl-2-[[2-[[2-[2-[[2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[[5-azanyl-1-[[1-[[4-methyl-1-oxidanylidene-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrrolidin-1-yl]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene) Openeye Name: 4-[[2-[[1-[2-[[4-amino-2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[4-amino-1-[[2-[[1-[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[[1-[2-[[4-amino-2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-[[5-amino-1-[[1-[[1-[2-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[1-[2-[[4-amino-2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[5-amino-1-[[1-[[1-[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[1-[2-[[4-amino-2-[[2-[[2-[[2-[[2-(glycylamino)-3-hydroxy-propanoyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]prolyl]amino]acetyl]amino]-5-[[4-amino-1-[[2-[[1-[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-keto-butyl]amino]-5-keto-valeric acid Formula: C59H91N17O27S MolecularWeight: 1502.51654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CS)C(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CS)C(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)CN

InChI

InChI=1S/C59H91N17O27S/c1-26(2)18-33(57(100)76-17-5-7-38(76)56(99)74-36(25-104)59(102)103)72-48(91)27(3)65-50(93)30(8-12-39(61)78)69-51(94)28(9-13-44(83)84)67-43(82)23-64-55(98)37-6-4-16-75(37)58(101)34(20-47(89)90)73-54(97)32(19-40(62)79)71-53(96)31(11-15-46(87)88)70-52(95)29(10-14-45(85)86)66-42(81)22-63-49(92)35(24-77)68-41(80)21-60/h26-38,77,104H,4-25,60H2,1-3H3,(H2,61,78)(H2,62,79)(H,63,92)(H,64,98)(H,65,93)(H,66,81)(H,67,82)(H,68,80)(H,69,94)(H,70,95)(H,71,96)(H,72,91)(H,73,97)(H,74,99)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,102,103)