(phenylmethyl) 6-[azanyl-(2-azanyl-4-naphthalen-2-yl-butanoyl)amino]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-[azanyl-(2-azanyl-4-naphthalen-2-yl-butanoyl)amino]-6-oxidanylidene-hexanoate Openeye Name: benzyl 6-[amino-[2-amino-4-(2-naphthyl)butanoyl]amino]-6-oxo-hexanoate CAS Name: 6-[amino-[2-amino-4-(2-naphthalenyl)-1-oxobutyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[amino-(2-amino-4-naphthalen-2-ylbutanoyl)amino]-6-oxohexanoate Traditional Name: 6-[amino-[2-amino-4-(2-naphthyl)butanoyl]amino]-6-keto-hexanoic acid benzyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCCC(=O)N(C(=O)C(CCC2=CC3=CC=CC=C3C=C2)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCCC(=O)N(C(=O)C(CCC2=CC3=CC=CC=C3C=C2)N)N

InChI

InChI=1S/C27H31N3O4/c28-24(17-15-20-14-16-22-10-4-5-11-23(22)18-20)27(33)30(29)25(31)12-6-7-13-26(32)34-19-21-8-2-1-3-9-21/h1-5,8-11,14,16,18,24H,6-7,12-13,15,17,19,28-29H2