Arg(5)-Trp(7,9)-Substance P (5-11)
[CAS# 85077-79-8]

Identification

• Name: Arg(5)-Trp(7,9)-Substance P (5-11)
• Synonyms: (2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-N-[(1R)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Pentanediamide; (2S)-2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-N-[(1R)-2-[[(1S)-2-[[(1R)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Pentanediamide; (2S)-2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]-N-[(1R)-2-[[(1S)-1-(Benzyl)-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Glutaramide
• Molecular Formula: C₅₃H₇₂N₁₄O₈S
• Molecular Weight: 1065.30
• CAS Registry Number: 85077-79-8
• SMILES: [C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CCC(=O)N)CC1=C[NH]C2=CC=CC=C12)CC3=CC=CC=C3)CC4=C[NH]C5=CC=CC=C45)(CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N
• InChI: 1S/C53H72N14O8S/c1-30(2)24-41(49(72)62-39(46(56)69)21-23-76-3)64-51(74)44(27-33-29-61-38-18-10-8-15-35(33)38)67-50(73)42(25-31-12-5-4-6-13-31)65-52(75)43(26-32-28-60-37-17-9-7-14-34(32)37)66-48(71)40(19-20-45(55)68)63-47(70)36(54)16-11-22-59-53(57)58/h4-10,12-15,17-18,28-30,36,39-44,60-61H,11,16,19-27,54H2,1-3H3,(H2,55,68)(H2,56,69)(H,62,72)(H,63,70)(H,64,74)(H,65,75)(H,66,71)(H,67,73)(H4,57,58,59)/t36-,39-,40-,41-,42-,43+,44+/m0/s1
• InChIKey: IFVXUPDHIFMAJT-YAFSIBTLSA-N

Properties

• Density: 1.41g/cm³ (Cal.)