(phenylmethyl) 2-[[2-azanyl-3-[4-(6-oxidanylideneheptanoylamino)phenyl]propanoyl]-ethanoyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-azanyl-3-[4-(6-oxidanylideneheptanoylamino)phenyl]propanoyl]-ethanoyl-amino]ethanoate Openeye Name: benzyl 2-[acetyl-[2-amino-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate CAS Name: 2-[acetyl-[2-amino-3-[4-(1,6-dioxoheptylamino)phenyl]-1-oxopropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[acetyl-[2-amino-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate Traditional Name: 2-[acetyl-[2-amino-3-[4-(6-ketoheptanoylamino)phenyl]propanoyl]amino]acetic acid benzyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)N(CC(=O)OCC2=CC=CC=C2)C(=O)C)N

Isomeric SMILES

CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)N(CC(=O)OCC2=CC=CC=C2)C(=O)C)N

InChI

InChI=1S/C27H33N3O6/c1-19(31)8-6-7-11-25(33)29-23-14-12-21(13-15-23)16-24(28)27(35)30(20(2)32)17-26(34)36-18-22-9-4-3-5-10-22/h3-5,9-10,12-15,24H,6-8,11,16-18,28H2,1-2H3,(H,29,33)