methyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: methyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: methyl (2S)-3-tert-butoxy-2-[[(2S,3R)-3-tert-butoxy-2-[[(2S)-2-[tert-butoxycarbonyl-[(2S,3R)-3-tert-butoxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: (2S)-3-tert-butoxy-2-[[(2S,3R)-3-tert-butoxy-2-[[(2S)-2-[tert-butoxycarbonyl-[(2S,3R)-3-tert-butoxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]butanoyl]amino]propionic acid methyl ester Formula: C44H76N6O11 MolecularWeight: 865.10784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(COC(C)(C)C)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(C(C)OC(C)(C)C)NC(=O)C(CCCCN)N)C(=O)OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](COC(C)(C)C)C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)[C@H](CCCCN)N)C(=O)OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C44H76N6O11/c1-27(59-42(6,7)8)33(37(53)47-31(39(55)57-15)26-58-41(3,4)5)48-36(52)32(25-29-21-17-16-18-22-29)50(40(56)61-44(12,13)14)38(54)34(28(2)60-43(9,10)11)49-35(51)30(46)23-19-20-24-45/h16-18,21-22,27-28,30-34H,19-20,23-26,45-46H2,1-15H3,(H,47,53)(H,48,52)(H,49,51)/t27-,28-,30+,31+,32+,33+,34+/m1/s1