(phenylmethyl) (2S)-2-[[(2R)-2-[2-[[(4R)-5-methoxy-4-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoyl]-methyl-amino]ethanoylamino]propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R)-2-[2-[[(4R)-5-methoxy-4-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoyl]-methyl-amino]ethanoylamino]propanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2R)-2-[[2-[[(4R)-4-[3-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-5-methoxy-5-oxo-pentanoyl]-methyl-amino]acetyl]amino]propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2R)-2-[[2-[[(4R)-5-methoxy-4-[[3-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]-methylamino]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R)-2-[[2-[[(4R)-5-methoxy-4-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]-5-oxopentanoyl]-methylamino]acetyl]amino]propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2R)-2-[[2-[[(4R)-4-[3-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-5-keto-5-methoxy-pentanoyl]-methyl-amino]acetyl]amino]propanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C42H60N6O11 MolecularWeight: 824.9594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)NC(=O)CN(C)C(=O)CCC(C(=O)OC)NC(=O)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)CN(C)C(=O)CC[C@H](C(=O)OC)NC(=O)CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C42H60N6O11/c1-27(2)23-33(40(55)58-26-30-17-13-10-14-18-30)46-37(52)28(3)44-35(50)25-48(7)36(51)20-19-31(39(54)57-8)45-34(49)21-22-43-38(53)32(24-29-15-11-9-12-16-29)47-41(56)59-42(4,5)6/h9-18,27-28,31-33H,19-26H2,1-8H3,(H,43,53)(H,44,50)(H,45,49)(H,46,52)(H,47,56)/t28-,31-,32+,33+/m1/s1