InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1

【InChIKey】

InChIKey=QXZGBUJJYSLZLT-FDISYFBBSA-N

【SMILES】

c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)N

【MOL File】

BRADYKININ.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:14

H bond acceptor:26

XLogP3:-11.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【Safe Code】

22,24/25

【WGK Germany】

4CML File

BRADYKININ.cml

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58-82-2 BRADYKININ

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】