4-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid

Systemtic Name: 4-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid Openeye Name: 4-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoic acid CAS Name: 4-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid IUPAC Name: 4-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-5-cyclohexyl-3-hydroxypentanoic acid Traditional Name: 5-cyclohexyl-3-hydroxy-4-[[3-(4H-imidazol-4-yl)-2-(phenylalanylamino)propanoyl]amino]valeric acid Formula: C26H37N5O5 MolecularWeight: 499.60248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(CC(=O)O)O)NC(=O)C(CC2C=NC=N2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)CC(C(CC(=O)O)O)NC(=O)C(CC2C=NC=N2)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C26H37N5O5/c27-20(11-17-7-3-1-4-8-17)25(35)31-22(13-19-15-28-16-29-19)26(36)30-21(23(32)14-24(33)34)12-18-9-5-2-6-10-18/h1,3-4,7-8,15-16,18-23,32H,2,5-6,9-14,27H2,(H,30,36)(H,31,35)(H,33,34)