(2S)-3-(1H-indol-2-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(1H-indol-2-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indole-2-carbonylamino)propanoic acid CAS Name: (2S)-3-[[1H-indol-2-yl(oxo)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(1H-indole-2-carbonylamino)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indole-2-carbonylamino)propionic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)C2=CC3=CC=CC=C3N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CNC(=O)C2=CC3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C20H19N3O5/c24-18(16-10-14-8-4-5-9-15(14)22-16)21-11-17(19(25)26)23-20(27)28-12-13-6-2-1-3-7-13/h1-10,17,22H,11-12H2,(H,21,24)(H,23,27)(H,25,26)/t17-/m0/s1