2-[4-[[(2S)-2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[(2S)-2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(2-naphthyl)propanoyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[(2S)-2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(2-naphthyl)propanoyl]amino]phenyl]acetic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C1CC(CCC1CN)C(=O)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C29H33N3O4/c30-18-20-5-11-23(12-6-20)28(35)32-26(16-21-7-10-22-3-1-2-4-24(22)15-21)29(36)31-25-13-8-19(9-14-25)17-27(33)34/h1-4,7-10,13-15,20,23,26H,5-6,11-12,16-18,30H2,(H,31,36)(H,32,35)(H,33,34)/t20?,23?,26-/m0/s1