propan-2-yl (3S)-3-[4-(1-adamantylcarbonylamino)butanoylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: propan-2-yl (3S)-3-[4-(1-adamantylcarbonylamino)butanoylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl (3S)-3-[4-(adamantane-1-carbonylamino)butanoylamino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[4-(adamantane-1-carbonylamino)butanoylamino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[4-(adamantane-1-carbonylamino)butanoylamino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C28H40N2O5/c1-18(2)35-26(32)14-24(22-6-8-23(34-3)9-7-22)30-25(31)5-4-10-29-27(33)28-15-19-11-20(16-28)13-21(12-19)17-28/h6-9,18-21,24H,4-5,10-17H2,1-3H3,(H,29,33)(H,30,31)/t19?,20?,21?,24-,28?/m0/s1