(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-Amino-4-Methylsulfanyl-1-Oxobutan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-2-[[(2S)-2,5-Diamino-5-Oxopentanoyl]Amino]-N',N'-Dimethylpentanediamide
[CAS# 75401-11-5]

Identification

• Name: (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-Amino-4-Methylsulfanyl-1-Oxobutan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-2-[[(2S)-2,5-Diamino-5-Oxopentanoyl]Amino]-N',N'-Dimethylpentanediamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[[(2S)-2,5-Diamino-5-Oxo-Pentanoyl]Amino]-N',N'-Dimethyl-Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[[(2S)-2,5-Diamino-1,5-Dioxopentyl]Amino]-N',N'-Dimethylpentanediamide; (2S)-N-[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]-2-[[(2S)-2,5-Diamino-5-Keto-Pentanoyl]Amino]-N',N'-Dimethyl-Glutaramide
• Molecular Formula: C₄₃H₆₄N₁₀O₉S
• Molecular Weight: 897.10
• CAS Registry Number: 75401-11-5
• SMILES: [C@H](CCC(N(C)C)=O)(C(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N)=O)CCSC)=O)CC(C)C)=O)=O)CC2=CC=CC=C2)=O)=O)NC([C@@H](N)CCC(N)=O)=O
• InChI: 1S/C43H64N10O9S/c1-26(2)22-32(42(61)49-30(38(46)57)20-21-63-5)48-36(55)25-47-40(59)33(23-27-12-8-6-9-13-27)51-43(62)34(24-28-14-10-7-11-15-28)52-41(60)31(17-19-37(56)53(3)4)50-39(58)29(44)16-18-35(45)54/h6-15,26,29-34H,16-25,44H2,1-5H3,(H2,45,54)(H2,46,57)(H,47,59)(H,48,55)(H,49,61)(H,50,58)(H,51,62)(H,52,60)/t29-,30-,31-,32-,33-,34-/m0/s1
• InChIKey: MKHCFLSVJASVQH-CVUOCSEZSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 1329.602°C at 760 mmHg (Cal.)
• Flash point: 757.916°C (Cal.)