SUBSTANCE P REVERSED SEQUENCE

CAS No.
CCD No.
CCD00549904
Formula
C63 H98 N18 O13 S
MolWeight
1347.65

Basic Information

Product Name: SUBSTANCE P REVERSED SEQUENCE
English Synonyms: SUBSTANCE P REVERSED SEQUENCE ; MLGFFQQPKPR-NH2 ; MET-LEU-GLY-PHE-PHE-GLN-GLN-PRO-LYS-PRO-ARG-NH2
MDL Number.: MFCD06656086
H bond acceptor: 31
H bond donor: 16
Smile: CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CCSC)N
InChi: InChI=1S/C63H98N18O13S/c1-37(2)33-45(78-54(86)40(65)27-32-95-3)55(87)72-36-52(84)73-46(34-38-15-6-4-7-16-38)57(89)79-47(35-39-17-8-5-9-18-39)58(90)75-42(23-25-50(66)82)56(88)76-44(24-26-51(67)83)62(94)81-31-14-22-49(81)60(92)77-43(19-10-11-28-64)61(93)80-30-13-21-48(80)59(91)74-41(53(68)85)20-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,87)(H,73,84)(H,74,91)(H,75,90)(H,76,88)(H,77,92)(H,78,86)(H,79,89)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChiKey: InChIKey=KXKNWOWEQIRNGE-CUZNLEPHSA-N

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