D-Phenylalanyl-N-{(2S)-2-[(3-carboxy-4-hydroxyphenyl)amino]-5-[(diaminomethylene)amino]pentanoyl}-L-prolinamide dihydrochloride
[CAS# 86356-77-6]

Identification

• Name: D-Phenylalanyl-N-{(2S)-2-[(3-carboxy-4-hydroxyphenyl)amino]-5-[(diaminomethylene)amino]pentanoyl}-L-prolinamide dihydrochloride
• Synonyms: Phe-pro-arg-cha; PS 915
• Molecular Formula: C₂₇H₃₇Cl₂N₇O₆
• Molecular Weight: 626.53
• CAS Registry Number: 86356-77-6
• SMILES: O=C(NC(=O)[C@@H](Nc1cc(C(=O)O)c(O)cc1)CCC/N=C(\N)N)[C@H]3N(C(=O)[C@H](N)Cc2ccccc2)CCC3.Cl.Cl
• InChI: 1S/C27H35N7O6.2ClH/c28-19(14-16-6-2-1-3-7-16)25(38)34-13-5-9-21(34)24(37)33-23(36)20(8-4-12-31-27(29)30)32-17-10-11-22(35)18(15-17)26(39)40;;/h1-3,6-7,10-11,15,19-21,32,35H,4-5,8-9,12-14,28H2,(H,39,40)(H4,29,30,31)(H,33,36,37);2*1H/t19-,20+,21+;;/m1../s1
• InChIKey: QAFVSHNTKNYPID-WOSURGFKSA-N