2-azanyl-3-[2-[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[2-[4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]phenyl]propanoic acid CAS Name: 2-amino-3-[2-[4-amino-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[2-[4-amino-2-(benzyloxycarbonylamino)-4-keto-butanoyl]phenyl]propionic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)C2=CC=CC=C2CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)C2=CC=CC=C2CC(C(=O)O)N

InChI

InChI=1S/C21H23N3O6/c22-16(20(27)28)10-14-8-4-5-9-15(14)19(26)17(11-18(23)25)24-21(29)30-12-13-6-2-1-3-7-13/h1-9,16-17H,10-12,22H2,(H2,23,25)(H,24,29)(H,27,28)