methyl (2S)-2-[[(2S)-2-azanyl-3-phenylmethoxy-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-phenylmethoxy-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-benzyloxy-propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylmethoxypropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-phenylmethoxypropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-benzoxy-propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid methyl ester Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C(COCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)[C@H](COCC2=CC=CC=C2)N

InChI

InChI=1S/C25H33N3O6/c1-32-24(30)22(28-23(29)21(26)18-33-16-19-10-4-2-5-11-19)14-8-9-15-27-25(31)34-17-20-12-6-3-7-13-20/h2-7,10-13,21-22H,8-9,14-18,26H2,1H3,(H,27,31)(H,28,29)/t21-,22-/m0/s1