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

Systemtic Name: 2-[2-[2-[[1-[6-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[1-[6-amino-2-[(2-amino-4-methyl-pentanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[[1-[6-amino-2-[(2-amino-4-methyl-1-oxopentyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[1-[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[1-[6-amino-2-[(2-amino-4-methyl-pentanoyl)amino]hexanoyl]prolyl]amino]acetyl]amino]acetyl]amino]-3-methyl-valeric acid Formula: C27H49N7O7 MolecularWeight: 583.72066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C27H49N7O7/c1-5-17(4)23(27(40)41)33-22(36)15-30-21(35)14-31-25(38)20-10-8-12-34(20)26(39)19(9-6-7-11-28)32-24(37)18(29)13-16(2)3/h16-20,23H,5-15,28-29H2,1-4H3,(H,30,35)(H,31,38)(H,32,37)(H,33,36)(H,40,41)