(2S)-2-[[(2S)-5-Amino-2-(3-Aminopropanoylamino)-5-Oxopentanoyl]Amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(4S)-8,9-Diamino-2-Methyl-6-Methylsulfonyl-5,9-Dioxononan-4-Yl]Amino]-2-Oxoethyl]-Methylamino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Pentanediamide
[CAS# 110863-38-2]

Identification

• Name: (2S)-2-[[(2S)-5-Amino-2-(3-Aminopropanoylamino)-5-Oxopentanoyl]Amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(4S)-8,9-Diamino-2-Methyl-6-Methylsulfonyl-5,9-Dioxononan-4-Yl]Amino]-2-Oxoethyl]-Methylamino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Pentanediamide
• Synonyms: (2S)-2-[[(2S)-5-Amino-2-(3-Aminopropanoylamino)-5-Oxo-Pentanoyl]Amino]-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-5,6-Diamino-1-Isobutyl-3-Methylsulfonyl-2,6-Dioxo-Hexyl]Amino]-2-Oxo-Ethyl]-Methyl-Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Pentanediamide; (2S)-2-[[(2S)-5-Amino-2-[(3-Amino-1-Oxopropyl)Amino]-1,5-Dioxopentyl]Amino]-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-5,6-Diamino-1-Isobutyl-3-Methylsulfonyl-2,6-Dioxohexyl]Amino]-2-Oxoethyl]-Methylamino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Pentanediamide; (2S)-2-[[(2S)-5-Amino-2-(3-Aminopropanoylamino)-5-Keto-Pentanoyl]Amino]-N-[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[[2-[[(1S)-5,6-Diamino-1-Isobutyl-2,6-Diketo-3-Mesyl-Hexyl]Amino]-2-Keto-Ethyl]-Methyl-Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Glutaramide
• Molecular Formula: C₄₅H₆₇N₁₁O₁₂S
• Molecular Weight: 986.15
• CAS Registry Number: 110863-38-2
• SMILES: [C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCN)CCC(=O)N)CCC(=O)N)CC1=CC=CC=C1)CC2=CC=CC=C2)C)(C(=O)C([S](=O)(=O)C)CC(N)C(=O)N)CC(C)C
• InChI: 1S/C45H67N11O12S/c1-26(2)21-32(40(61)35(69(4,67)68)24-29(47)41(50)62)52-39(60)25-56(3)45(66)34(23-28-13-9-6-10-14-28)55-44(65)33(22-27-11-7-5-8-12-27)54-43(64)31(16-18-37(49)58)53-42(63)30(15-17-36(48)57)51-38(59)19-20-46/h5-14,26,29-35H,15-25,46-47H2,1-4H3,(H2,48,57)(H2,49,58)(H2,50,62)(H,51,59)(H,52,60)(H,53,63)(H,54,64)(H,55,65)/t29?,30-,31-,32-,33-,34-,35?/m0/s1
• InChIKey: YLILVLOYQAQADF-MXTXSHIASA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 1448.035°C at 760 mmHg (Cal.)
• Flash point: 829.542°C (Cal.)