tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-tert-butoxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxybutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-tert-butoxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butyric acid tert-butyl ester Formula: C41H62N6O10 MolecularWeight: 798.96518

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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)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)N

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](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C41H62N6O10/c1-24(2)19-30(38(54)47-34(25(3)48)39(55)57-41(7,8)9)45-37(53)31(21-26-13-11-10-12-14-26)44-33(50)22-43-36(52)32(23-56-40(4,5)6)46-35(51)29(42)20-27-15-17-28(49)18-16-27/h10-18,24-25,29-32,34,48-49H,19-23,42H2,1-9H3,(H,43,52)(H,44,50)(H,45,53)(H,46,51)(H,47,54)/t25?,29-,30-,31-,32+,34-/m0/s1