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

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) (2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2R)-2-[[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propionic acid succinimido ester Formula: C43H60N8O10 MolecularWeight: 848.9841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)ON4C(=O)CCC4=O)NC(=O)C(CCCN)NC(=O)C(C(C)C)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)ON4C(=O)CCC4=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C43H60N8O10/c1-25(2)22-31(47-38(55)30(12-8-20-44)46-41(58)37(45)26(3)4)39(56)48-32(23-27-10-6-5-7-11-27)42(59)50-21-9-13-34(50)40(57)49-33(24-28-14-16-29(52)17-15-28)43(60)61-51-35(53)18-19-36(51)54/h5-7,10-11,14-17,25-26,30-34,37,52H,8-9,12-13,18-24,44-45H2,1-4H3,(H,46,58)(H,47,55)(H,48,56)(H,49,57)/t30-,31-,32+,33+,34-,37-/m0/s1