N-[(2S)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[(2S)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-carbamimidoyl-benzamide Openeye Name: N-[(1S)-1-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-propyl]-3-carbamimidoyl-benzamide CAS Name: N-[(2S)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-carbamimidoylbenzamide IUPAC Name: N-[(2S)-1-[[4-(aminomethyl)cyclohexyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[(1S)-1-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-propyl]benzamide Formula: C21H33N5O2 MolecularWeight: 387.51902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1CCC(CC1)CN)NC(=O)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1CCC(CC1)CN)NC(=O)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H33N5O2/c1-13(2)18(21(28)25-12-15-8-6-14(11-22)7-9-15)26-20(27)17-5-3-4-16(10-17)19(23)24/h3-5,10,13-15,18H,6-9,11-12,22H2,1-2H3,(H3,23,24)(H,25,28)(H,26,27)/t14?,15?,18-/m0/s1