2-[[2-[[2-[[6-azanyl-2-[2-[[2-[[6-azanyl-2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[[2-[[6-azanyl-2-[2-[[2-[[6-azanyl-2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]succinic acid Formula: C39H70N10O13 MolecularWeight: 887.0323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C39H70N10O13/c1-7-22(6)32(38(60)48-31(21(4)5)37(59)47-27(39(61)62)18-30(53)54)49-36(58)24(12-8-10-14-40)44-28(50)19-43-34(56)26(16-20(2)3)46-35(57)25(13-9-11-15-41)45-33(55)23(42)17-29(51)52/h20-27,31-32H,7-19,40-42H2,1-6H3,(H,43,56)(H,44,50)(H,45,55)(H,46,57)(H,47,59)(H,48,60)(H,49,58)(H,51,52)(H,53,54)(H,61,62)