(E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-3-(1-methylindol-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoyl]amino]butanoyl]amino]hex-2-enoic acid

Systemtic Name: (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-3-(1-methylindol-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoyl]amino]butanoyl]amino]hex-2-enoic acid Openeye Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-methyl-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid CAS Name: (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-3-(1-methyl-3-indolyl)-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-2-hexenoic acid IUPAC Name: (E,4S)-2,5-dimethyl-4-[methyl-[(2S)-2-[[(2S)-3-methyl-3-(1-methylindol-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoyl]amino]butanoyl]amino]hex-2-enoic acid Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-methyl-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid Formula: C33H50N4O6 MolecularWeight: 598.7733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)NC(=O)C(C(C)(C)C1=CN(C2=CC=CC=C21)C)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H](C(=O)N(C)[C@H](/C=C(\C)/C(=O)O)C(C)C)NC(=O)[C@H](C(C)(C)C1=CN(C2=CC=CC=C21)C)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C33H50N4O6/c1-13-24(29(39)36(11)26(20(2)3)18-21(4)30(40)41)34-28(38)27(37(12)31(42)43-32(5,6)7)33(8,9)23-19-35(10)25-17-15-14-16-22(23)25/h14-20,24,26-27H,13H2,1-12H3,(H,34,38)(H,40,41)/b21-18+/t24-,26+,27+/m0/s1