(2S)-2-[[(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[2-methylpropyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]propanoyl]amino]-2-cyclohexyl-ethanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[2-methylpropyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]propanoyl]amino]-2-cyclohexyl-ethanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[isobutyl-(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-2-cyclohexyl-acetyl]amino]-5-guanidino-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[2-methylpropyl-(2,2,2-trifluoro-1-oxoethyl)amino]-1-oxopropyl]amino]-2-cyclohexyl-1-oxoethyl]amino]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-2-cyclohexylacetyl]amino]-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[isobutyl-(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-2-cyclohexyl-acetyl]amino]-5-guanidino-valeramide Formula: C29H45F3N8O4 MolecularWeight: 626.71401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CC1=CC=C(C=C1)N)C(=O)NC(C2CCCCC2)C(=O)NC(CCCN=C(N)N)C(=O)N)C(=O)C(F)(F)F

Isomeric SMILES

CC(C)CN([C@@H](CC1=CC=C(C=C1)N)C(=O)N[C@@H](C2CCCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)C(=O)C(F)(F)F

InChI

InChI=1S/C29H45F3N8O4/c1-17(2)16-40(27(44)29(30,31)32)22(15-18-10-12-20(33)13-11-18)25(42)39-23(19-7-4-3-5-8-19)26(43)38-21(24(34)41)9-6-14-37-28(35)36/h10-13,17,19,21-23H,3-9,14-16,33H2,1-2H3,(H2,34,41)(H,38,43)(H,39,42)(H4,35,36,37)/t21-,22-,23-/m0/s1