methyl (2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[methyl-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[methyl-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[methyl-[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[methyl-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoyl]amino]propionic acid methyl ester Formula: C26H33N3O7 MolecularWeight: 499.55612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C(CC1=CC=C(C=C1)OC)C(=O)NC(C)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N(C)[C@@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](C)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O7/c1-17(28-26(33)36-16-20-9-7-6-8-10-20)24(31)29(3)22(23(30)27-18(2)25(32)35-5)15-19-11-13-21(34-4)14-12-19/h6-14,17-18,22H,15-16H2,1-5H3,(H,27,30)(H,28,33)/t17-,18-,22-/m0/s1