2-[2-[[2-[[6-azanyl-2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[[2-[[6-azanyl-2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[6-amino-2-[[1-(2-amino-4-methyl-pentanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[6-amino-2-[[[1-(2-amino-4-methyl-1-oxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[6-amino-2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[6-amino-2-[[1-(2-amino-4-methyl-pentanoyl)prolyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]glutaric acid Formula: C56H98N14O20 MolecularWeight: 1287.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N.CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N.CC(C)CC(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/2C28H49N7O10/c2*1-15(2)13-17(30)27(43)35-12-6-8-20(35)25(41)33-18(7-4-5-11-29)24(40)34-23(16(3)36)26(42)31-14-21(37)32-19(28(44)45)9-10-22(38)39/h2*15-20,23,36H,4-14,29-30H2,1-3H3,(H,31,42)(H,32,37)(H,33,41)(H,34,40)(H,38,39)(H,44,45)