N(alpha)-(3-Iododesaminotyrosyl)-Substance P (6-11)
[CAS# 97207-37-9]

Identification

• Name: N(alpha)-(3-Iododesaminotyrosyl)-Substance P (6-11)
• Synonyms: (2S)-N-[(1S)-2-[[(1R)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[3-(4-Hydroxy-3-Iodo-Phenyl)Propanoylamino]Pentanediamide
• Molecular Formula: C₄₅H₅₉IN₈O₉S
• Molecular Weight: 1014.97
• CAS Registry Number: 97207-37-9
• SMILES: [C@@H](NC(CCC1=CC(=C(C=C1)O)I)=O)(C(=O)N[C@H](C(N[C@@H](C(NCC(N[C@@H](C(CC)C)C(N[C@@H](CCSC)C(N)=O)=O)=O)=O)CC2=CC=CC=C2)=O)CC3=CC=CC=C3)CCC(=O)N
• InChI: 1S/C45H59IN8O9S/c1-4-27(2)40(45(63)51-32(41(48)59)21-22-64-3)54-39(58)26-49-42(60)34(24-28-11-7-5-8-12-28)52-44(62)35(25-29-13-9-6-10-14-29)53-43(61)33(17-19-37(47)56)50-38(57)20-16-30-15-18-36(55)31(46)23-30/h5-15,18,23,27,32-35,40,55H,4,16-17,19-22,24-2
• InChIKey: VKAVXZVGUACIKY-FKMHRYIMSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 1338.869°C at 760 mmHg (Cal.)
• Flash point: 763.52°C (Cal.)