tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoate CAS Name: (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butyric acid tert-butyl ester Formula: C44H64N6O11 MolecularWeight: 853.01256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)O)C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C2CCCN2C(=O)C(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)O)C(=O)OC(C)(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C44H64N6O11/c1-26(2)22-31(38(55)49-36(27(3)51)41(58)60-43(4,5)6)47-37(54)32(23-28-14-11-10-12-15-28)46-35(53)25-45-39(56)34-16-13-21-50(34)40(57)33(48-42(59)61-44(7,8)9)24-29-17-19-30(52)20-18-29/h10-12,14-15,17-20,26-27,31-34,36,51-52H,13,16,21-25H2,1-9H3,(H,45,56)(H,46,53)(H,47,54)(H,48,59)(H,49,55)/t27?,31-,32-,33-,34-,36-/m0/s1