GASTRIN RELEASING PEPTIDE (14-27)

81608-29-9

MFCD00167530

C75 H110 N24 O16 S2

1667.98

InChI=1S/C75H110N24O16S2/c1-39(2)26-52(68(109)92-50(63(78)104)21-25-117-7)94-69(110)54(29-44-33-81-37-87-44)90-61(103)36-86-73(114)62(40(3)4)98-64(105)41(5)89-67(108)53(28-43-32-84-49-13-9-8-12-47(43)49)95-70(111)55(30-45-34-82-38-88-45)96-71(112)56(31-59(77)101)91-60(102)35-85-66(107)51(14-10-22-83-75(79)80)93-72(113)58-15-11-23-99(58)74(115)57(27-42-16-18-46(100)19-17-42)97-65(106)48(76)20-24-116-6/h8-9,12-13,16-19,32-34,37-41,48,50-58,62,84,100H,10-11,14-15,20-31,35-36,76H2,1-7H3,(H2,77,101)(H2,78,104)(H,81,87)(H,82,88)(H,85,107)(H,86,114)(H,89,108)(H,90,103)(H,91,102)(H,92,109)(H,93,113)(H,94,110)(H,95,111)(H,96,112)(H,97,106)(H,98,105)(H4,79,80,83)/t41-,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1

InChIKey=IFIFCDMFVPNPSB-QEJDUTAOSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6ccc(cc6)O)NC(=O)[C@H](CCSC)N

H bond donor:22

H bond acceptor:40

XLogP3:-9.0

Bulk/Fine:F