[2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[[(2S)-1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopentyl]amino]-4-methylpentanoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-valeric acid succinimido ester Formula: C48H68N8O12 MolecularWeight: 949.09992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)ON1C(=O)CCC1=O)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCCN3C(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C48H68N8O12/c1-28(2)25-36(46(65)68-56-38(58)21-22-39(56)59)52-41(60)33(15-11-23-49)50-44(63)40(29(3)4)54-42(61)34(26-31-17-19-32(57)20-18-31)51-43(62)37-16-12-24-55(37)45(64)35(27-30-13-9-8-10-14-30)53-47(66)67-48(5,6)7/h8-10,13-14,17-20,28-29,33-37,40,57H,11-12,15-16,21-27,49H2,1-7H3,(H,50,63)(H,51,62)(H,52,60)(H,53,66)(H,54,61)/t33-,34-,35-,36-,37-,40-/m0/s1