InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1

【InChIKey】

InChIKey=QMMRCKSBBNJCMR-KMZPNFOHSA-N

【SMILES】

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)O)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)N

【MOL File】

ANGIOTENSIN III, HUM….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:12

H bond acceptor:21

XLogP3:-3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【Safe Code】

S22;S24/25

【WGK Germany】

4CML File

ANGIOTENSIN III, HUMAN.cml

Quick Release

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13602-53-4 ANGIOTENSIN III, HUMAN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】