decyl 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-azanylethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoate

Systemtic Name: decyl 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-azanylethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoate Openeye Name: decyl 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoate CAS Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylsulfinyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]-methylamino]propanoic acid decyl ester IUPAC Name: decyl 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]-3-phenylpropanoyl]-methylamino]propanoate Traditional Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propionic acid decyl ester Formula: C39H59N5O7S MolecularWeight: 741.98006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CCS(=O)C)NC(=O)C(CC2=CC=C(C=C2)O)N=C(C)N

Isomeric SMILES

CCCCCCCCCCOC(=O)CCN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CCS(=O)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N=C(C)N

InChI

InChI=1S/C39H59N5O7S/c1-5-6-7-8-9-10-11-15-25-51-36(46)22-24-44(3)39(49)35(28-30-16-13-12-14-17-30)43-37(47)33(23-26-52(4)50)42-38(48)34(41-29(2)40)27-31-18-20-32(45)21-19-31/h12-14,16-21,33-35,45H,5-11,15,22-28H2,1-4H3,(H2,40,41)(H,42,48)(H,43,47)/t33-,34+,35+,52?/m1/s1