methyl (2S)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-phenylmethoxycarbonyl-amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]-phenylmethoxycarbonyl-amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-benzyloxycarbonyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-phenylmethoxycarbonylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-phenylmethoxycarbonylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-carbobenzoxy-amino]-4-methyl-valeric acid methyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(C(=O)C(CC1=CNC2=CC=CC=C21)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)N(C(=O)[C@@H](CC1=CNC2=CC=CC=C21)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5/c1-17(2)13-23(25(31)33-3)29(26(32)34-16-18-9-5-4-6-10-18)24(30)21(27)14-19-15-28-22-12-8-7-11-20(19)22/h4-12,15,17,21,23,28H,13-14,16,27H2,1-3H3/t21-,23+/m1/s1