(phenylmethyl) (4E)-4-azanyl-2-[2-azanylpropanoyl(pentanoyl)amino]-2-benzamido-3-phenyl-4-phenylmethoxycarbonylimino-butanoate

Systemtic Name: (phenylmethyl) (4E)-4-azanyl-2-[2-azanylpropanoyl(pentanoyl)amino]-2-benzamido-3-phenyl-4-phenylmethoxycarbonylimino-butanoate Openeye Name: benzyl (4E)-4-amino-2-[2-aminopropanoyl(pentanoyl)amino]-2-benzamido-4-benzyloxycarbonylimino-3-phenyl-butanoate CAS Name: (4E)-4-amino-2-[(2-amino-1-oxopropyl)-(1-oxopentyl)amino]-2-benzamido-3-phenyl-4-phenylmethoxycarbonyliminobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4E)-4-amino-2-[2-aminopropanoyl(pentanoyl)amino]-2-benzamido-3-phenyl-4-phenylmethoxycarbonyliminobutanoate Traditional Name: (4E)-2-[alanyl(valeryl)amino]-4-amino-2-benzamido-4-carbobenzoxyimino-3-phenyl-butyric acid benzyl ester Formula: C40H43N5O7 MolecularWeight: 705.79872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C(=O)C(C)N)C(C(C1=CC=CC=C1)C(=NC(=O)OCC2=CC=CC=C2)N)(C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)N(C(=O)C(C)N)C(C(C1=CC=CC=C1)/C(=N\C(=O)OCC2=CC=CC=C2)/N)(C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C40H43N5O7/c1-3-4-25-33(46)45(37(48)28(2)41)40(44-36(47)32-23-15-8-16-24-32,38(49)51-26-29-17-9-5-10-18-29)34(31-21-13-7-14-22-31)35(42)43-39(50)52-27-30-19-11-6-12-20-30/h5-24,28,34H,3-4,25-27,41H2,1-2H3,(H,44,47)(H2,42,43,50)