4-[[2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidan

Systemtic Name: 4-[[2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidan Openeye Name: 5-[[1-[[1-[[1-[[1-[[1-(carboxymethylcarbamoyl)-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-4-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[1-[[1-[[1-[[1-(carboxymethylamino)-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[1-[[1-[[1-[[1-[[1-(carboxymethylcarbamoyl)-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-4-[[2-[[2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C50H75N13O30 MolecularWeight: 1338.1996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C50H75N13O30/c1-3-19(2)39(50(93)60-25(13-35(75)76)41(84)53-16-38(81)82)63-45(88)24(7-11-34(73)74)56-46(89)27(15-37(79)80)59-44(87)23(6-10-33(71)72)55-42(85)21(4-8-31(67)68)54-43(86)22(5-9-32(69)70)57-48(91)28(17-64)62-49(92)29(18-65)61-47(90)26(14-36(77)78)58-40(83)20(51)12-30(52)66/h19-29,39,64-65H,3-18,51H2,1-2H3,(H2,52,66)(H,53,84)(H,54,86)(H,55,85)(H,56,89)(H,57,91)(H,58,83)(H,59,87)(H,60,93)(H,61,90)(H,62,92)(H,63,88)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)