(2S)-2-[2-[[3-[[(2S)-2-[[(2R)-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[2-[[3-[[(2S)-2-[[(2R)-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2R)-3-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-(isobutoxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2R)-3-[(2-ethoxy-2-oxoethyl)thio]-3-methyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1,2-dioxohexyl]amino]-1-oxoethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2R)-3-(2-ethoxy-2-oxoethyl)sulfanyl-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2R)-3-[(2-ethoxy-2-keto-ethyl)thio]-2-(isobutoxycarbonylamino)-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-2-keto-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid Formula: C36H55N5O11S MolecularWeight: 765.9138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)(C)SCC(=O)OCC)NC(=O)OCC(C)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)(C)SCC(=O)OCC)NC(=O)OCC(C)C

InChI

InChI=1S/C36H55N5O11S/c1-9-14-24(29(44)32(46)37-18-26(42)40-28(34(48)49)23-15-12-11-13-16-23)38-31(45)25(17-21(3)4)39-33(47)30(41-35(50)52-19-22(5)6)36(7,8)53-20-27(43)51-10-2/h11-13,15-16,21-22,24-25,28,30H,9-10,14,17-20H2,1-8H3,(H,37,46)(H,38,45)(H,39,47)(H,40,42)(H,41,50)(H,48,49)/t24?,25-,28-,30+/m0/s1