methyl (2S)-2-[[(2S)-2-[[(4S,5S)-6-(4-hydroxyphenyl)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxidanyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(4S,5S)-6-(4-hydroxyphenyl)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxidanyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-hydroxy-6-(4-hydroxyphenyl)hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[(4S,5S)-4-hydroxy-5-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-6-(4-hydroxyphenyl)-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(4S,5S)-4-hydroxy-5-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-(4-hydroxyphenyl)hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-hydroxy-6-(4-hydroxyphenyl)hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C37H60N6O12 MolecularWeight: 780.9053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)CCC(C(CC1=CC=C(C=C1)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CO)NC(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C37H60N6O12/c1-19(2)29(34(51)43-30(20(3)4)35(52)54-10)42-28(47)16-15-27(46)25(17-23-11-13-24(45)14-12-23)40-32(49)22(6)38-31(48)21(5)39-33(50)26(18-44)41-36(53)55-37(7,8)9/h11-14,19-22,25-27,29-30,44-46H,15-18H2,1-10H3,(H,38,48)(H,39,50)(H,40,49)(H,41,53)(H,42,47)(H,43,51)/t21-,22-,25-,26-,27-,29-,30-/m0/s1