(2R)-1-[(2S)-2-[[2-[[(2R)-1-[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[(2S)-2-[[2-[[(2R)-1-[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[(2S)-2-[[2-[[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[(2S)-2-[[2-[[[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[(2S)-2-[[2-[[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[(2S)-2-[[2-[[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]proline Formula: C39H54N6O8 MolecularWeight: 734.88146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC(C)CC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@@H]2C(=O)O)NC(=O)[C@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C39H54N6O8/c1-23(2)20-29(35(48)42-30(22-25-10-6-5-7-11-25)37(50)45-19-9-13-32(45)39(52)53)41-36(49)31-12-8-18-44(31)38(51)33(24(3)4)43-34(47)28(40)21-26-14-16-27(46)17-15-26/h5-7,10-11,14-17,23-24,28-33,46H,8-9,12-13,18-22,40H2,1-4H3,(H,41,49)(H,42,48)(H,43,47)(H,52,53)/t28-,29?,30-,31+,32+,33-/m0/s1