4-[[3-[(4-bromophenyl)carbamoylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid

Systemtic Name: 4-[[3-[(4-bromophenyl)carbamoylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid Openeye Name: 4-[[4-(benzylamino)-3-[(4-bromophenyl)carbamoylamino]-4-oxo-butyl]-tetralin-1-yl-amino]butanoic acid CAS Name: 4-[[3-[[(4-bromoanilino)-oxomethyl]amino]-4-oxo-4-[(phenylmethyl)amino]butyl]-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid IUPAC Name: 4-[[4-(benzylamino)-3-[(4-bromophenyl)carbamoylamino]-4-oxobutyl]-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoic acid Traditional Name: 4-[[4-(benzylamino)-3-[(4-bromophenyl)carbamoylamino]-4-keto-butyl]-tetralin-1-yl-amino]butyric acid Formula: C32H37BrN4O4 MolecularWeight: 621.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)N(CCCC(=O)O)CCC(C(=O)NCC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)N(CCCC(=O)O)CCC(C(=O)NCC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C32H37BrN4O4/c33-25-15-17-26(18-16-25)35-32(41)36-28(31(40)34-22-23-8-2-1-3-9-23)19-21-37(20-7-14-30(38)39)29-13-6-11-24-10-4-5-12-27(24)29/h1-5,8-10,12,15-18,28-29H,6-7,11,13-14,19-22H2,(H,34,40)(H,38,39)(H2,35,36,41)