Substance P, Gly(12)-
[CAS# 98093-85-7]

Identification

• Name: Substance P, Gly(12)-
• Synonyms: 2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[5-Amino-2-[[(2S)-5-Amino-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-1-[(2S)-2-Amino-5-Guanidino-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Oxo-Pentanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-
• Molecular Formula: C₆₅H₁₀₀N₁₈O₁₅S
• Molecular Weight: 1405.68
• CAS Registry Number: 98093-85-7
• 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)NC(CCC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(O)=O
• InChI: 1S/C65H100N18O15S/c1-38(2)33-46(59(93)77-44(27-32-99-3)55(89)74-37-54(87)88)75-53(86)36-73-56(90)47(34-39-15-6-4-7-16-39)80-60(94)48(35-40-17-8-5-9-18-40)81-58(92)42(23-25-51(68)84)76-57(91)43(24-26-52(69)85)78-61(95)50-22-14-31-83(50)64(98)45(20-10-11-28
• InChIKey: WYMDHULEODCOGK-PSYUMOARSA-N

Properties

• Density: 1.436g/cm³ (Cal.)