methyl (2S)-2-[[(2S)-2-[methyl-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[methyl-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-3-[1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: (2S)-2-[[(2S)-2-[methyl-[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[methyl-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-3-(1-tosylindol-3-yl)propionic acid methyl ester Formula: C40H50N4O8S MolecularWeight: 746.912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)OC)NC(=O)C(CC4=CC=CC=C4)N(C)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C[C@@H](C(=O)OC)NC(=O)[C@H](CC4=CC=CC=C4)N(C)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H50N4O8S/c1-26(2)22-32(42-39(48)52-40(4,5)6)37(46)43(7)35(23-28-14-10-9-11-15-28)36(45)41-33(38(47)51-8)24-29-25-44(34-17-13-12-16-31(29)34)53(49,50)30-20-18-27(3)19-21-30/h9-21,25-26,32-33,35H,22-24H2,1-8H3,(H,41,45)(H,42,48)/t32-,33-,35-/m0/s1