(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-[2-[ethyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl]pentanamide

Systemtic Name: (2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-[2-[ethyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-oxidanylidene-ethyl]pentanamide Openeye Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[ethyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-oxo-ethyl]-5-guanidino-pentanamide CAS Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-N-[2-[ethyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-oxoethyl]pentanamide IUPAC Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-[2-[ethyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-oxoethyl]pentanamide Traditional Name: (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[ethyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-keto-ethyl]-5-guanidino-valeramide Formula: C28H38F3N7O4 MolecularWeight: 593.64103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC=C1C(F)(F)F)C(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CCN(CCC1=CC=CC=C1C(F)(F)F)C(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C28H38F3N7O4/c1-2-38(15-13-19-6-3-4-7-21(19)28(29,30)31)24(40)17-36-26(42)23(8-5-14-35-27(33)34)37-25(41)22(32)16-18-9-11-20(39)12-10-18/h3-4,6-7,9-12,22-23,39H,2,5,8,13-17,32H2,1H3,(H,36,42)(H,37,41)(H4,33,34,35)/t22-,23+/m0/s1