2-[[6-azanyl-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[6-amino-2-[bis(benzyloxycarbonyl)amino]hexanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[6-amino-2-[bis(phenylmethoxycarbonyl)amino]-1-oxohexyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[6-amino-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[6-amino-2-(dicarbobenzoxyamino)hexanoyl]amino]-3-hydroxy-propionic acid Formula: C25H31N3O8 MolecularWeight: 501.52894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(CCCCN)C(=O)NC(CO)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(CCCCN)C(=O)NC(CO)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O8/c26-14-8-7-13-21(22(30)27-20(15-29)23(31)32)28(24(33)35-16-18-9-3-1-4-10-18)25(34)36-17-19-11-5-2-6-12-19/h1-6,9-12,20-21,29H,7-8,13-17,26H2,(H,27,30)(H,31,32)