methyl (2S)-2-[(phenylmethyl)amino]-3-[1-(phenylmethyl)indol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-[(phenylmethyl)amino]-3-[1-(phenylmethyl)indol-3-yl]propanoate Openeye Name: methyl (2S)-2-(benzylamino)-3-(1-benzylindol-3-yl)propanoate CAS Name: (2S)-2-[(phenylmethyl)amino]-3-[1-(phenylmethyl)-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(benzylamino)-3-(1-benzylindol-3-yl)propanoate Traditional Name: (2S)-2-(benzylamino)-3-(1-benzylindol-3-yl)propionic acid methyl ester Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O2/c1-30-26(29)24(27-17-20-10-4-2-5-11-20)16-22-19-28(18-21-12-6-3-7-13-21)25-15-9-8-14-23(22)25/h2-15,19,24,27H,16-18H2,1H3/t24-/m0/s1