methyl (2S)-4-methyl-2-[[(2S)-2-[(6Z)-1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]ethanoyl]-3-oxidanylidene-5,8-dihydro-2H-1,4-diazocin-4-yl]-3-phenyl-propanoyl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(2S)-2-[(6Z)-1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]ethanoyl]-3-oxidanylidene-5,8-dihydro-2H-1,4-diazocin-4-yl]-3-phenyl-propanoyl]amino]pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[(6Z)-1-[2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoyl]amino]acetyl]-3-oxo-5,8-dihydro-2H-1,4-diazocin-4-yl]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(2S)-2-[(6Z)-1-[2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropyl]amino]-1-oxoethyl]-3-oxo-5,8-dihydro-2H-1,4-diazocin-4-yl]-1-oxo-3-phenylpropyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2S)-2-[(6Z)-1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]acetyl]-3-oxo-5,8-dihydro-2H-1,4-diazocin-4-yl]-3-phenylpropanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2S)-2-[(6Z)-1-[2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoyl]amino]acetyl]-3-keto-5,8-dihydro-2H-1,4-diazocin-4-yl]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C42H59N5O9 MolecularWeight: 777.94596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N2CC=CCN(CC2=O)C(=O)CNC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)N2C/C=C\CN(CC2=O)C(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C42H59N5O9/c1-28(2)23-33(39(52)54-9)44-38(51)34(25-29-15-11-10-12-16-29)47-22-14-13-21-46(27-36(47)49)35(48)26-43-37(50)32(45-40(53)56-42(6,7)8)24-30-17-19-31(20-18-30)55-41(3,4)5/h10-20,28,32-34H,21-27H2,1-9H3,(H,43,50)(H,44,51)(H,45,53)/b14-13-/t32-,33-,34-/m0/s1