2-Pro-6,8-Trp-10-Nle-Neurokinin B
[CAS# 105869-12-3]

Identification

• Name: 2-Pro-6,8-Trp-10-Nle-Neurokinin B
• Synonyms: Dpdtnle-Nb; Neurokinin B, Pro(2)-Trp(6,8)-Nle(10)-; Neurokinin B, Prolyl(2)-Tryptophyl(6,8)-Norleucine(10)-
• Molecular Formula: C₆₇H₈₆N₁₄O₁₅
• Molecular Weight: 1327.50
• CAS Registry Number: 105869-12-3
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H]1N(CCC1)C([C@@H](N)CC(=O)O)=O)=O)CC2=C[NH]C=N2)=O)CC(=O)O)=O)CC3=CC=CC=C3)=O)CC4=C[NH]C5=CC=CC=C45)=O)C(C)C)=O)CC6=C[NH]C7=CC=CC=C67)=O)CC(C)C)=O)CCCC
• InChI: 1S/C67H86N14O15/c1-6-7-20-47(67(95)96)73-58(86)48(25-36(2)3)74-60(88)50(27-39-32-70-45-21-13-11-18-42(39)45)79-65(93)57(37(4)5)80-63(91)51(28-40-33-71-46-22-14-12-19-43(40)46)76-59(87)49(26-38-16-9-8-10-17-38)75-62(90)53(31-56(84)85)77-61(89)52(29-41-34-69-35-72-41)78-64(92)54-23-15-24-81(54)66(94)44(68)30-55(82)83/h8-14,16-19,21-22,32-37,44,47-54,57,70-71H,6-7,15,20,23-31,68H2,1-5H3,(H,69,72)(H,73,86)(H,74,88)(H,75,90)(H,76,87)(H,77,89)(H,78,92)(H,79,93)(H,80,91)(H,82,83)(H,84,85)(H,95,96)/t44-,47-,48-,49-,50+,51+,52-,53-,54+,57-/m0/s1
• InChIKey: ZKLUNXWBZZDGQS-KDICMADCSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 1716.6°C at 760 mmHg (Cal.)
• Flash point: 992°C (Cal.)