Substance P (1-7)
[CAS# 72226-88-1]

Identification

• Name: Substance P (1-7)
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(1S)-4-Amino-1-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Oxo-Butyl]Pentanediamide; (2S)-2-[[[(2S)-1-[(2S)-6-Amino-2-[[[(2S)-1-[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-N-[(1S)-4-Amino-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Oxobutyl]Pentanediamide; (2S)-N-[(1S)-4-Amino-1-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]-4-Keto-Butyl]-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]Glutaramide
• Molecular Formula: C₄₁H₆₆N₁₄O₉
• Molecular Weight: 899.06
• CAS Registry Number: 72226-88-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@H]2N(CCC2)C(=O)[C@@H](N)CCCN=C(N)N)CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
• InChI: 1S/C41H66N14O9/c42-19-5-4-12-28(52-38(62)30-13-7-21-54(30)39(63)25(43)11-6-20-49-41(47)48)40(64)55-22-8-14-31(55)37(61)51-27(16-18-33(45)57)35(59)50-26(15-17-32(44)56)36(60)53-29(34(46)58)23-24-9-2-1-3-10-24/h1-3,9-10,25-31H,4-8,11-23,42-43H2,(H2,44,56)(H2,45,57)(H2,46,58)(H,50,59)(H,51,61)(H,52,62)(H,53,60)(H4,47,48,49)/t25-,26-,27-,28-,29-,30-,31-/m0/s1
• InChIKey: ZYHOMIXJFJTRKC-XIJWKTHWSA-N

Properties

• Density: 1.492g/cm³ (Cal.)