InChI=1S/C58H84N16O11/c1-7-34(6)48(73-52(79)42(25-36-17-19-39(75)20-18-36)69-54(81)47(33(4)5)72-49(76)40(59)15-11-21-64-58(60)61)55(82)70-44(27-38-29-63-31-66-38)56(83)74-22-12-16-46(74)53(80)68-41(24-35-13-9-8-10-14-35)50(77)67-43(26-37-28-62-30-65-37)51(78)71-45(57(84)85)23-32(2)3/h8-10,13-14,17-20,28-34,40-48,75H,7,11-12,15-16,21-27,59H2,1-6H3,(H,62,65)(H,63,66)(H,67,77)(H,68,80)(H,69,81)(H,70,82)(H,71,78)(H,72,76)(H,73,79)(H,84,85)(H4,60,61,64)/t34-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1

【InChIKey】

InChIKey=SKWIUWNFCDCCDM-XZJAPRPDSA-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)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)N

【MOL File】

(DES-ASP1)-ANGIOTENS….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:15

H bond acceptor:27

XLogP3:-3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

(DES-ASP1)-ANGIOTENSIN I.cml

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56317-01-2 (DES-ASP1)-ANGIOTENSIN I

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】