(4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(4-butoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(4-butoxy-6-phenyl-pyridin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(4-butoxy-6-phenyl-pyridine-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[4-[butoxy(oxo)methyl]-1-piperazinyl]-4-[[(4-butoxy-6-phenyl-2-pyridinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-butoxycarbonylpiperazin-1-yl)-4-[(4-butoxy-6-phenylpyridine-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-butoxycarbonylpiperazino)-4-[(4-butoxy-6-phenyl-picolinoyl)amino]-5-keto-valeric acid Formula: C30H40N4O7 MolecularWeight: 568.6612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NC(=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC(=NC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCCCC)C3=CC=CC=C3

InChI

InChI=1S/C30H40N4O7/c1-3-5-18-40-23-20-25(22-10-8-7-9-11-22)31-26(21-23)28(37)32-24(12-13-27(35)36)29(38)33-14-16-34(17-15-33)30(39)41-19-6-4-2/h7-11,20-21,24H,3-6,12-19H2,1-2H3,(H,32,37)(H,35,36)/t24-/m0/s1