N-[1-azanyl-1-oxidanylidene-3-(4-oxidanyl-3-propanoyl-phenyl)propan-2-yl]-2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide

Systemtic Name: N-[1-azanyl-1-oxidanylidene-3-(4-oxidanyl-3-propanoyl-phenyl)propan-2-yl]-2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide Openeye Name: N-[2-amino-1-[(4-hydroxy-3-propanoyl-phenyl)methyl]-2-oxo-ethyl]-2-[(2-amino-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide CAS Name: N-[1-amino-3-[4-hydroxy-3-(1-oxopropyl)phenyl]-1-oxopropan-2-yl]-2-[(2-amino-1-oxo-3-phenylpropyl)-methylamino]-3-methylbutanamide IUPAC Name: N-[1-amino-3-(4-hydroxy-3-propanoylphenyl)-1-oxopropan-2-yl]-2-[(2-amino-3-phenylpropanoyl)-methylamino]-3-methylbutanamide Traditional Name: N-[2-amino-1-(4-hydroxy-3-propionyl-benzyl)-2-keto-ethyl]-3-methyl-2-[methyl(phenylalanyl)amino]butyramide Formula: C27H36N4O5 MolecularWeight: 496.59854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)CC(C(=O)N)NC(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=CC=C2)N)O

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)CC(C(=O)N)NC(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=CC=C2)N)O

InChI

InChI=1S/C27H36N4O5/c1-5-22(32)19-13-18(11-12-23(19)33)15-21(25(29)34)30-26(35)24(16(2)3)31(4)27(36)20(28)14-17-9-7-6-8-10-17/h6-13,16,20-21,24,33H,5,14-15,28H2,1-4H3,(H2,29,34)(H,30,35)