tert-butyl (2S)-2-[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]pent-4-enoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoate

Systemtic Name: tert-butyl (2S)-2-[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]pent-4-enoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoate Openeye Name: tert-butyl (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]pent-4-enoyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxoethyl]amino]-1-oxopent-4-enyl]amino]-1,2-dioxohexyl]amino]-1-oxoethyl]amino]-2-phenylacetic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)acetyl]amino]pent-4-enoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(isobutoxycarbonylamino)acetyl]amino]pent-4-enoyl]amino]-2-keto-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid tert-butyl ester Formula: C38H57N5O9 MolecularWeight: 727.88728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)C(CC=C)NC(=O)C(C2CCCCC2)NC(=O)OCC(C)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)[C@H](CC=C)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C

InChI

InChI=1S/C38H57N5O9/c1-8-16-27(32(45)35(48)39-22-29(44)42-31(26-20-14-11-15-21-26)36(49)52-38(5,6)7)40-33(46)28(17-9-2)41-34(47)30(25-18-12-10-13-19-25)43-37(50)51-23-24(3)4/h9,11,14-15,20-21,24-25,27-28,30-31H,2,8,10,12-13,16-19,22-23H2,1,3-7H3,(H,39,48)(H,40,46)(H,41,47)(H,42,44)(H,43,50)/t27?,28-,30-,31-/m0/s1