4-[(2-azanyl-3,3-dimethyl-butanoyl)amino]-3-oxidanyl-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid

Systemtic Name: 4-[(2-azanyl-3,3-dimethyl-butanoyl)amino]-3-oxidanyl-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid Openeye Name: 4-[(2-amino-3,3-dimethyl-butanoyl)amino]-3-hydroxy-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid CAS Name: 4-[(2-amino-3,3-dimethyl-1-oxobutyl)amino]-3-hydroxy-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid IUPAC Name: 4-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxy-5-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid Traditional Name: 4-[(2-amino-3,3-dimethyl-butanoyl)amino]-3-hydroxy-5-phenyl-2-[(2,3,4-trimethoxybenzyl)amino]valeric acid Formula: C27H39N3O7 MolecularWeight: 517.61446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)O)NCC2=C(C(=C(C=C2)OC)OC)OC)O)N

Isomeric SMILES

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(=O)O)NCC2=C(C(=C(C=C2)OC)OC)OC)O)N

InChI

InChI=1S/C27H39N3O7/c1-27(2,3)24(28)25(32)30-18(14-16-10-8-7-9-11-16)21(31)20(26(33)34)29-15-17-12-13-19(35-4)23(37-6)22(17)36-5/h7-13,18,20-21,24,29,31H,14-15,28H2,1-6H3,(H,30,32)(H,33,34)