methyl 2-[[(2S)-2-[2-[[3-[[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-ethanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-(4-phenoxyphenyl)ethanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(2S)-2-[2-[[3-[[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-ethanoyl]amino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-(4-phenoxyphenyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-[[(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-4-methyl-pentanoyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]-2-(4-phenoxyphenyl)acetyl]amino]acetate CAS Name: 2-[[(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1,2-dioxohexyl]amino]-1-oxoethyl]amino]-1-oxo-2-(4-phenoxyphenyl)ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-acetamido-2-cyclohexylacetyl]amino]-4-methylpentanoyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-2-(4-phenoxyphenyl)acetyl]amino]acetate Traditional Name: 2-[[(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-4-methyl-pentanoyl]amino]-2-keto-hexanoyl]amino]acetyl]amino]-2-(4-phenoxyphenyl)acetyl]amino]acetic acid methyl ester Formula: C41H56N6O10 MolecularWeight: 792.91754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC(=O)OC)NC(=O)C(CC(C)C)NC(=O)C(C3CCCCC3)NC(=O)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C3CCCCC3)NC(=O)C

InChI

InChI=1S/C41H56N6O10/c1-6-13-31(45-38(52)32(22-25(2)3)46-40(54)36(44-26(4)48)27-14-9-7-10-15-27)37(51)41(55)42-23-33(49)47-35(39(53)43-24-34(50)56-5)28-18-20-30(21-19-28)57-29-16-11-8-12-17-29/h8,11-12,16-21,25,27,31-32,35-36H,6-7,9-10,13-15,22-24H2,1-5H3,(H,42,55)(H,43,53)(H,44,48)(H,45,52)(H,46,54)(H,47,49)/t31?,32-,35-,36-/m0/s1