methyl (2S)-2-[3-(1-adamantylcarbonylamino)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-(1-adamantylcarbonylamino)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(adamantane-1-carbonylamino)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(adamantane-1-carbonylamino)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(adamantane-1-carbonylamino)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32N2O4/c1-30-22(28)20(12-16-5-3-2-4-6-16)26-21(27)7-8-25-23(29)24-13-17-9-18(14-24)11-19(10-17)15-24/h2-6,17-20H,7-15H2,1H3,(H,25,29)(H,26,27)/t17?,18?,19?,20-,24?/m0/s1