methyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(1H-indol-5-yl)propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(1H-indol-5-yl)propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(1H-indol-5-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-5-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(1H-indol-5-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(1H-indol-5-yl)propionic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC3=C(C=C2)NC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC3=C(C=C2)NC=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O4/c1-15(27)25-20(13-16-6-4-3-5-7-16)22(28)26-21(23(29)30-2)14-17-8-9-19-18(12-17)10-11-24-19/h3-12,20-21,24H,13-14H2,1-2H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1