3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-azanylethylideneamino)-3-(4-methoxycarbonyloxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-azanylethylideneamino)-3-(4-methoxycarbonyloxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoic acid Openeye Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-methoxycarbonyloxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoic acid CAS Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-methoxycarbonyloxyphenyl)-1-oxopropyl]amino]-4-methylsulfinyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]-methylamino]propanoic acid IUPAC Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-methoxycarbonyloxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]-3-phenylpropanoyl]-methylamino]propanoic acid Traditional Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-carbomethoxyoxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propionic acid Formula: C31H41N5O9S MolecularWeight: 659.75034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(CC1=CC=C(C=C1)OC(=O)OC)C(=O)NC(CCS(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)N(C)CCC(=O)O)N

Isomeric SMILES

CC(=N[C@@H](CC1=CC=C(C=C1)OC(=O)OC)C(=O)N[C@H](CCS(=O)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(C)CCC(=O)O)N

InChI

InChI=1S/C31H41N5O9S/c1-20(32)33-25(18-22-10-12-23(13-11-22)45-31(42)44-3)29(40)34-24(15-17-46(4)43)28(39)35-26(19-21-8-6-5-7-9-21)30(41)36(2)16-14-27(37)38/h5-13,24-26H,14-19H2,1-4H3,(H2,32,33)(H,34,40)(H,35,39)(H,37,38)/t24-,25+,26+,46?/m1/s1