[4-[(2S)-3-methoxy-2-[[(2S)-4-methyl-2-[2-[2-(phenylcarbonyl)phenoxy]ethanoylamino]pentanoyl]amino]-3-oxidanylidene-propyl]phenyl] 4-(2-phenylethanoylamino)piperidine-1-carboxylate

Systemtic Name: [4-[(2S)-3-methoxy-2-[[(2S)-4-methyl-2-[2-[2-(phenylcarbonyl)phenoxy]ethanoylamino]pentanoyl]amino]-3-oxidanylidene-propyl]phenyl] 4-(2-phenylethanoylamino)piperidine-1-carboxylate Openeye Name: [4-[(2S)-2-[[(2S)-2-[[2-(2-benzoylphenoxy)acetyl]amino]-4-methyl-pentanoyl]amino]-3-methoxy-3-oxo-propyl]phenyl] 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate CAS Name: 4-[(1-oxo-2-phenylethyl)amino]-1-piperidinecarboxylic acid [4-[(2S)-2-[[(2S)-2-[[2-(2-benzoylphenoxy)-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methoxy-3-oxopropyl]phenyl] ester IUPAC Name: [4-[(2S)-2-[[(2S)-2-[[2-(2-benzoylphenoxy)acetyl]amino]-4-methylpentanoyl]amino]-3-methoxy-3-oxopropyl]phenyl] 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(2-phenylacetyl)amino]piperidine-1-carboxylic acid [4-[(2S)-2-[[(2S)-2-[[2-(2-benzoylphenoxy)acetyl]amino]-4-methyl-pentanoyl]amino]-3-keto-3-methoxy-propyl]phenyl] ester Formula: C45H50N4O9 MolecularWeight: 790.8999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OC(=O)N2CCC(CC2)NC(=O)CC3=CC=CC=C3)C(=O)OC)NC(=O)COC4=CC=CC=C4C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)N2CCC(CC2)NC(=O)CC3=CC=CC=C3)C(=O)OC)NC(=O)COC4=CC=CC=C4C(=O)C5=CC=CC=C5

InChI

InChI=1S/C45H50N4O9/c1-30(2)26-37(47-41(51)29-57-39-17-11-10-16-36(39)42(52)33-14-8-5-9-15-33)43(53)48-38(44(54)56-3)27-32-18-20-35(21-19-32)58-45(55)49-24-22-34(23-25-49)46-40(50)28-31-12-6-4-7-13-31/h4-21,30,34,37-38H,22-29H2,1-3H3,(H,46,50)(H,47,51)(H,48,53)/t37-,38-/m0/s1