dolcanatide Report issue

Biologics Peptide Experimental

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Chemistry

Mol. Mass

1699.93

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)O)CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC1=O
  • InChIKey: WGEWYYPHYMGJNT-HLHYUOOASA-N
    InChI=1S/C65H106N18O27S4/c1-25(2)15-35-56(99)80-41(60(103)82-49(28(7)8)65(109)110)24-114-111-21-38(58(101)77-37(64(107)108)16-26(3)4)72-44(87)20-70-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)71-63(106)48(27(5)6)81-53(96)32(67)18-43(69)86)23-113-112-22-39(59(102)74-33(54(97)76-35)11-13-45(88)89)79-55(98)34(12-14-46(90)91)73-57(100)36(19-47(92)93)75-52(95)31(66)17-42(68)85/h25-41,48-50,84H,11-24,66-67H2,1-10H3,(H2,68,85)(H2,69,86)(H,70,105)(H,71,106)(H,72,87)(H,73,100)(H,74,102)(H,75,95)(H,76,97)(H,77,101)(H,78,94)(H,79,98)(H,80,99)(H,81,96)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,107,108)(H,109,110)/t29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,48-,49-,50-/m0/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545122   ChEMBL
dolcanatide *

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