2-[[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-azanylpent-4-enoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-2-(trifluoromethyl)butanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-azanylpent-4-enoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-2-(trifluoromethyl)butanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-aminopent-4-enoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-2-(trifluoromethyl)butanoyl]amino]-5-(benzyloxycarbonylamino)pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-amino-1-oxopent-4-enyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxo-2-(trifluoromethyl)butyl]amino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-aminopent-4-enoyl]amino]-3-phenylpropanoyl]amino]-3-methyl-2-(trifluoromethyl)butanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[2-[[(2R)-2-[[(2R)-2-aminopent-4-enoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-2-(trifluoromethyl)butanoyl]amino]-5-(benzyloxycarbonylamino)pentanoyl]amino]acetic acid Formula: C35H45F3N6O8 MolecularWeight: 734.76241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)NCC(=O)O)(C(F)(F)F)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC=C)N

Isomeric SMILES

CC(C)C(C(=O)N[C@@H](CCCNC(=O)OCC1=CC=CC=C1)C(=O)NCC(=O)O)(C(F)(F)F)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC=C)N

InChI

InChI=1S/C35H45F3N6O8/c1-4-12-25(39)29(47)42-27(19-23-13-7-5-8-14-23)31(49)44-34(22(2)3,35(36,37)38)32(50)43-26(30(48)41-20-28(45)46)17-11-18-40-33(51)52-21-24-15-9-6-10-16-24/h4-10,13-16,22,25-27H,1,11-12,17-21,39H2,2-3H3,(H,40,51)(H,41,48)(H,42,47)(H,43,50)(H,44,49)(H,45,46)/t25-,26+,27-,34?/m1/s1