4-azanyl-5-[2-[[1-[[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-(2-methylphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[2-[[1-[[1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-(2-methylphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[2-[[2-[[2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-methyl-amino]-1-(o-tolylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[2-[[[1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-3-(2-methylphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[2-[[1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-3-(2-methylphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: 4-amino-5-[2-[[2-[[2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-methyl-amino]-2-keto-1-(2-methylbenzyl)ethyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C27H37N7O6 MolecularWeight: 555.62598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C(=O)N(C)C(CC2=CN=CN2)C(=O)N)NC(=O)C3CCCN3C(=O)C(CCC(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1CC(C(=O)N(C)C(CC2=CN=CN2)C(=O)N)NC(=O)C3CCCN3C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C27H37N7O6/c1-16-6-3-4-7-17(16)12-20(27(40)33(2)22(24(29)37)13-18-14-30-15-31-18)32-25(38)21-8-5-11-34(21)26(39)19(28)9-10-23(35)36/h3-4,6-7,14-15,19-22H,5,8-13,28H2,1-2H3,(H2,29,37)(H,30,31)(H,32,38)(H,35,36)