D-Prolyl-L-glutaminylglutaminyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-L-leucyl-L-leucinamide
[CAS# 87026-40-2]

Identification

• Name: D-Prolyl-L-glutaminylglutaminyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-L-leucyl-L-leucinamide
• Synonyms: 4-Pro-7,9-trp-11-leunh2-substance P (4-11); L-Leucinamide, D-prolyl-L-glutaminyl-L-glutaminyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-L-leucyl-
• Molecular Formula: C₅₈H₇₇N₁₃O₁₀
• Molecular Weight: 1116.31
• CAS Registry Number: 87026-40-2
• SMILES: O=C(N)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H]1NCCC1)CCC(=O)N)CCC(=O)N)Cc3c2ccccc2nc3)Cc4ccccc4)Cc6c5ccccc5nc6)CC(C)C)CC(C)C
• InChI: 1S/C58H77N13O10/c1-32(2)25-44(51(61)74)67-55(78)45(26-33(3)4)68-57(80)48(29-36-31-64-40-18-11-9-16-38(36)40)71-56(79)46(27-34-13-6-5-7-14-34)69-58(81)47(28-35-30-63-39-17-10-8-15-37(35)39)70-54(77)43(21-23-50(60)73)66-53(76)42(20-22-49(59)72)65-52(75)41-19-12-24-62-41/h5-11,13-18,30-33,41-48,62-64H,12,19-29H2,1-4H3,(H2,59,72)(H2,60,73)(H2,61,74)(H,65,75)(H,66,76)(H,67,78)(H,68,80)(H,69,81)(H,70,77)(H,71,79)/t41-,42+,43?,44+,45+,46+,47-,48-/m1/s1
• InChIKey: LWEZILNLDGVHAN-RTIBYWRHSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 1583.559°C at 760 mmHg (Cal.)
• Flash point: 911.504°C (Cal.)