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

Systemtic Name: 2-[2-[2-[[1-[4-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-[[1-[4-amino-2-[(2-amino-4-methyl-pentanoyl)amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-[[[1-[4-amino-2-[(2-amino-4-methyl-1-oxopentyl)amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-[[1-[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[2-[[1-[4-amino-2-[(2-amino-4-methyl-pentanoyl)amino]-4-keto-butanoyl]prolyl]amino]acetyl]amino]acetyl]amino]-3-hydroxy-butyric acid Formula: C23H39N7O9 MolecularWeight: 557.59726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NC(C(C)O)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NC(C(C)O)C(=O)O)N

InChI

InChI=1S/C23H39N7O9/c1-11(2)7-13(24)20(35)28-14(8-16(25)32)22(37)30-6-4-5-15(30)21(36)27-9-17(33)26-10-18(34)29-19(12(3)31)23(38)39/h11-15,19,31H,4-10,24H2,1-3H3,(H2,25,32)(H,26,33)(H,27,36)(H,28,35)(H,29,34)(H,38,39)