N-[1-azanyl-3-(3-methyl-1H-indol-5-yl)-1-oxidanylidene-propan-2-yl]-2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide

Systemtic Name: N-[1-azanyl-3-(3-methyl-1H-indol-5-yl)-1-oxidanylidene-propan-2-yl]-2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide Openeye Name: N-[2-amino-1-[(3-methyl-1H-indol-5-yl)methyl]-2-oxo-ethyl]-2-[(2-amino-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide CAS Name: N-[1-amino-3-(3-methyl-1H-indol-5-yl)-1-oxopropan-2-yl]-2-[(2-amino-1-oxo-3-phenylpropyl)-methylamino]-3-methylbutanamide IUPAC Name: N-[1-amino-3-(3-methyl-1H-indol-5-yl)-1-oxopropan-2-yl]-2-[(2-amino-3-phenylpropanoyl)-methylamino]-3-methylbutanamide Traditional Name: N-[2-amino-2-keto-1-[(3-methyl-1H-indol-5-yl)methyl]ethyl]-3-methyl-2-[methyl(phenylalanyl)amino]butyramide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C1C=C(C=C2)CC(C(=O)N)NC(=O)C(C(C)C)N(C)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CNC2=C1C=C(C=C2)CC(C(=O)N)NC(=O)C(C(C)C)N(C)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C27H35N5O3/c1-16(2)24(32(4)27(35)21(28)13-18-8-6-5-7-9-18)26(34)31-23(25(29)33)14-19-10-11-22-20(12-19)17(3)15-30-22/h5-12,15-16,21,23-24,30H,13-14,28H2,1-4H3,(H2,29,33)(H,31,34)