N-[[4-[[(2S)-1-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[[4-[[(2S)-1-[[(2S)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[[4-[[(1S)-1-[[(1S)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzamide CAS Name: N-[[4-[[[(2S)-1-[[(2S)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[[4-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[[4-[[(1S)-1-[[(1S)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzamide Formula: C35H42F3N7O4 MolecularWeight: 681.74769

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)N

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N

InChI

InChI=1S/C35H42F3N7O4/c36-35(37,38)27-15-13-24(14-16-27)31(47)43-20-21-7-11-25(12-8-21)32(48)44-28(6-3-17-42-34(40)41)33(49)45-29(30(39)46)19-22-9-10-23-4-1-2-5-26(23)18-22/h1-2,4-5,9-10,13-16,18,21,25,28-29H,3,6-8,11-12,17,19-20H2,(H2,39,46)(H,43,47)(H,44,48)(H,45,49)(H4,40,41,42)/t21?,25?,28-,29-/m0/s1