methyl (2S)-2-[[(2S)-2-[[(2R,6R)-2-butyl-6-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-oxidanyl-decanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2R,6R)-2-butyl-6-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-oxidanyl-decanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2R,6R)-2-butyl-4-hydroxy-6-[[(1S)-1-[[(1S)-1-methoxycarbonyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]decanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[(2R,6R)-2-butyl-4-hydroxy-6-[[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-1-oxodecyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2R,6R)-2-butyl-4-hydroxy-6-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]decanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2R,6R)-2-butyl-6-[[(1S)-1-[[(1S)-1-carbomethoxy-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-hydroxy-decanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C37H68N4O9 MolecularWeight: 712.95722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CC(CCCC)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)OC)O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCC[C@H](CC(C[C@@H](CCCC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C37H68N4O9/c1-13-15-17-25(32(43)38-28(21(3)4)34(45)40-30(23(7)8)36(47)49-11)19-27(42)20-26(18-16-14-2)33(44)39-29(22(5)6)35(46)41-31(24(9)10)37(48)50-12/h21-31,42H,13-20H2,1-12H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t25-,26-,28+,29+,30+,31+/m1/s1