(4-azanyl-1-phenyl-butan-2-yl)-[3-[(3-methyl-2-oxidanyl-phenyl)methylcarbamoylamino]-2-oxidanyl-4-phenyl-butyl]carbamic acid

Systemtic Name: (4-azanyl-1-phenyl-butan-2-yl)-[3-[(3-methyl-2-oxidanyl-phenyl)methylcarbamoylamino]-2-oxidanyl-4-phenyl-butyl]carbamic acid Openeye Name: (3-amino-1-benzyl-propyl)-[2-hydroxy-3-[(2-hydroxy-3-methyl-phenyl)methylcarbamoylamino]-4-phenyl-butyl]carbamic acid CAS Name: (4-amino-1-phenylbutan-2-yl)-[2-hydroxy-3-[[[(2-hydroxy-3-methylphenyl)methylamino]-oxomethyl]amino]-4-phenylbutyl]carbamic acid IUPAC Name: (4-amino-1-phenylbutan-2-yl)-[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methylcarbamoylamino]-4-phenylbutyl]carbamic acid Traditional Name: (3-amino-1-benzyl-propyl)-[2-hydroxy-3-[(2-hydroxy-3-methyl-benzyl)carbamoylamino]-4-phenyl-butyl]carbamic acid Formula: C30H38N4O5 MolecularWeight: 534.64652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CNC(=O)NC(CC2=CC=CC=C2)C(CN(C(CCN)CC3=CC=CC=C3)C(=O)O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)CNC(=O)NC(CC2=CC=CC=C2)C(CN(C(CCN)CC3=CC=CC=C3)C(=O)O)O)O

InChI

InChI=1S/C30H38N4O5/c1-21-9-8-14-24(28(21)36)19-32-29(37)33-26(18-23-12-6-3-7-13-23)27(35)20-34(30(38)39)25(15-16-31)17-22-10-4-2-5-11-22/h2-14,25-27,35-36H,15-20,31H2,1H3,(H,38,39)(H2,32,33,37)