Neurokinin B (4-10)
[CAS# 97559-39-2]

Identification

• Name: Neurokinin B (4-10)
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]Acetyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Methylsulfanyl-Butanoic Acid; (2S)-2-[[(2S)-2-[[2-
• Molecular Formula: C₄₀H₅₈N₈O₉S
• Molecular Weight: 827.01
• CAS Registry Number: 97559-39-2
• SMILES: [C@@H](NC([C@@H](N)CC(=O)N)=O)(C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCSC)CC(C)C)C(C)C)CC1=CC=CC=C1)CC2=CC=CC=C2
• InChI: 1S/C40H58N8O9S/c1-23(2)18-29(36(52)45-28(40(56)57)16-17-58-5)44-33(50)22-43-39(55)34(24(3)4)48-38(54)31(20-26-14-10-7-11-15-26)47-37(53)30(19-25-12-8-6-9-13-25)46-35(51)27(41)21-32(42)49/h6-15,23-24,27-31,34H,16-22,41H2,1-5H3,(H2,42,49)(H,43,55)(H,44,50)(
• InChIKey: DKXDSAPUJMKFEW-HWKKFYSMSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 1252.146°C at 760 mmHg (Cal.)
• Flash point: 711.072°C (Cal.)