lysyl(3)-glycyl(8)-R-lactam-leucine(9)-Neurokinin A (3-10)
[CAS# 136548-07-7]

Identification

• Name: lysyl(3)-glycyl(8)-R-lactam-leucine(9)-Neurokinin A (3-10)
• Synonyms: (3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(3R)-1-[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]-2-Oxo-Pyrrolidin-3-Yl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-3-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[[(3R)-1-[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]-2-Oxo-3-Pyrrolidinyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-3-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-2-[[(1S)-1-(Benzyl)-2-[[(1S)-1-[[(3R)-1-[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]-2-Keto-Pyrrolidin-3-Yl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-Methylol-Ethyl]Amino]-3-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₂H₆₈N₁₀O₁₁S
• Molecular Weight: 921.12
• CAS Registry Number: 136548-07-7
• SMILES: [C@@H](N)(C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H]1CCN([C@H](C(N[C@@H](CCSC)C(=O)N)=O)CC(C)C)C1=O)=O)C(C)C)CC2=CC=CC=C2)=O)CO)CC(=O)O)=O)CCCCN
• InChI: 1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28+,29-,30-,31-,32-,34-/m0/s1
• InChIKey: HVUNRXRFMQDMBO-ICQHUDCBSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 1342.846°C at 760 mmHg (Cal.)
• Flash point: 765.926°C (Cal.)