methyl 2-[(2-azanyl-4-methyl-pentanoyl)-(azepan-1-ylcarbonyl)amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[(2-azanyl-4-methyl-pentanoyl)-(azepan-1-ylcarbonyl)amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[(2-amino-4-methyl-pentanoyl)-(azepane-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)-[1-azepanyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-4-methylpentanoyl)-(azepane-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(2-amino-4-methyl-pentanoyl)-(azepane-1-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)OC)C(=O)N3CCCCCC3)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)OC)C(=O)N3CCCCCC3)N

InChI

InChI=1S/C25H36N4O4/c1-17(2)14-20(26)23(30)29(25(32)28-12-8-4-5-9-13-28)22(24(31)33-3)15-18-16-27-21-11-7-6-10-19(18)21/h6-7,10-11,16-17,20,22,27H,4-5,8-9,12-15,26H2,1-3H3