4-[2-[(2-azanyl-3-phenyl-propanoyl)-pyrazol-1-yl-amino]propanoylamino]-5-cyclohexyl-3-oxidanyl-pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1CCCCC1)C(CC(=O)O)O)N(C(=O)C(CC2=CC=CC=C2)N)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC(CC1CCCCC1)C(CC(=O)O)O)N(C(=O)C(CC2=CC=CC=C2)N)N3C=CC=N3

InChI

InChI=1S/C26H37N5O5/c1-18(25(35)29-22(23(32)17-24(33)34)16-20-11-6-3-7-12-20)31(30-14-8-13-28-30)26(36)21(27)15-19-9-4-2-5-10-19/h2,4-5,8-10,13-14,18,20-23,32H,3,6-7,11-12,15-17,27H2,1H3,(H,29,35)(H,33,34)