(phenylmethyl) (4R)-5-azanyl-4-[[(2S)-2-azanyl-3-phenylmethoxy-propanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4R)-5-azanyl-4-[[(2S)-2-azanyl-3-phenylmethoxy-propanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (4R)-5-amino-4-[[(2S)-2-amino-3-benzyloxy-propanoyl]amino]-5-oxo-pentanoate CAS Name: (4R)-5-amino-4-[[(2S)-2-amino-1-oxo-3-phenylmethoxypropyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-amino-4-[[(2S)-2-amino-3-phenylmethoxypropanoyl]amino]-5-oxopentanoate Traditional Name: (4R)-5-amino-4-[[(2S)-2-amino-3-benzoxy-propanoyl]amino]-5-keto-valeric acid benzyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H](C(=O)N[C@H](CCC(=O)OCC2=CC=CC=C2)C(=O)N)N

InChI

InChI=1S/C22H27N3O5/c23-18(15-29-13-16-7-3-1-4-8-16)22(28)25-19(21(24)27)11-12-20(26)30-14-17-9-5-2-6-10-17/h1-10,18-19H,11-15,23H2,(H2,24,27)(H,25,28)/t18-,19+/m0/s1