2-[[2-[[2-[[2-[[2-[[2-(2-azanylethanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-(2-azanylethanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-(glycylamino)-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]glutaric acid Formula: C31H53N7O14 MolecularWeight: 747.79102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN

Isomeric SMILES

CCC(C)C(C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN

InChI

InChI=1S/C31H53N7O14/c1-6-15(4)24(37-26(46)17(7-9-22(42)43)33-21(41)12-32)29(49)36-20(13-39)28(48)38-25(16(5)40)30(50)35-19(11-14(2)3)27(47)34-18(31(51)52)8-10-23(44)45/h14-20,24-25,39-40H,6-13,32H2,1-5H3,(H,33,41)(H,34,47)(H,35,50)(H,36,49)(H,37,46)(H,38,48)(H,42,43)(H,44,45)(H,51,52)