dimethyl (2S)-2-[[(4S)-5-methoxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[(4S)-5-methoxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanedioate Openeye Name: dimethyl (2S)-2-[[(4S)-4-(benzyloxycarbonylamino)-5-methoxy-5-oxo-pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(4S)-5-methoxy-1,5-dioxo-4-(phenylmethoxycarbonylamino)pentyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(4S)-5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(4S)-4-(carbobenzoxyamino)-5-keto-5-methoxy-pentanoyl]amino]glutaric acid dimethyl ester Formula: C21H28N2O9 MolecularWeight: 454.441838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)CCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)[15NH]C(=O)CC[C@@H](C(=O)OC)[15NH]C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H28N2O9/c1-29-18(25)12-10-15(19(26)30-2)22-17(24)11-9-16(20(27)31-3)23-21(28)32-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,22,24)(H,23,28)/t15-,16-/m0/s1/i22+1,23+1