3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-azanylethylideneamino)-3-(4-phenylmethoxycarbonyloxyphenyl)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-phenylmethoxycarbonyloxyphenyl)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-benzyloxycarbonyloxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propanoic acid CAS Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-1-oxo-3-(4-phenylmethoxycarbonyloxyphenyl)propyl]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-phenylmethoxycarbonyloxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]-3-phenylpropanoyl]-methylamino]propanoic acid Traditional Name: 3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(1-aminoethylideneamino)-3-(4-carbobenzoxyoxyphenyl)propanoyl]amino]-4-methylsulfinyl-butanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]propionic acid Formula: C37H45N5O9S MolecularWeight: 735.8463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)C(=O)NC(CCS(=O)C)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)CCC(=O)O)N

Isomeric SMILES

CC(=N[C@@H](CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)C(=O)N[C@H](CCS(=O)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N(C)CCC(=O)O)N

InChI

InChI=1S/C37H45N5O9S/c1-25(38)39-31(22-27-14-16-29(17-15-27)51-37(48)50-24-28-12-8-5-9-13-28)35(46)40-30(19-21-52(3)49)34(45)41-32(23-26-10-6-4-7-11-26)36(47)42(2)20-18-33(43)44/h4-17,30-32H,18-24H2,1-3H3,(H2,38,39)(H,40,46)(H,41,45)(H,43,44)/t30-,31+,32+,52?/m1/s1