S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione
[CAS# 129596-89-0]

Identification

• Name: S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione
• Synonyms: (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[2-[[(2S)-2,5-Diaminopentanoyl]Amino]-4-Methoxy-5-[(1-Methyl-4-Piperidyl)Carbamoyl]Phenyl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[2-[[(2S)-2,5-Diamino-1-Oxopentyl]Amino]-4-Methoxy-5-[[(1-Methyl-4-Piperidinyl)Amino]-Oxomethyl]Phenyl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[2-[[(2S)-2,5-Diaminopentanoyl]Amino]-4-Methoxy-5-[(1-Methyl-4-Piperidyl)Carbamoyl]Phenyl]Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₉H₄₆N₈O₉S
• Molecular Weight: 682.79
• CAS Registry Number: 129596-89-0
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](N)CCC(=O)O)=O)CSC1=CC(=C(C=C1NC([C@H](CCCN)N)=O)OC)C(=O)NC2CCN(CC2)C
• InChI: 1S/C29H46N8O9S/c1-37-10-7-16(8-11-37)34-26(42)17-12-23(20(13-22(17)46-2)35-27(43)18(31)4-3-9-30)47-15-21(29(45)33-14-25(40)41)36-28(44)19(32)5-6-24(38)39/h12-13,16,18-19,21H,3-11,14-15,30-32H2,1-2H3,(H,33,45)(H,34,42)(H,35,43)(H,36,44)(H,38,39)(H,40,41)/t18-,19-,21-/m0/s1
• InChIKey: MWWPXANGCUTKTQ-ZJOUEHCJSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 1023.511°C at 760 mmHg (Cal.)
• Flash point: 572.799°C (Cal.)