Molecules/Cronexitide Lanocianine

Cronexitide Lanocianine

3-[2-[7-[3-[3-[[(3S,6S,9S,15S,20R,23S)-20-[[(1S)-5-amino-1-carboxypentyl]carbamoyl]-6-(carboxymethyl)-9-[3-(diaminomethylideneamino)propyl]-3-(hydroxymethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-15-yl]amino]-3-oxopropyl]-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate

C73H92N14O15S21469.70 g/molCID 167713319

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Molecular Identity

Cronexitide Lanocianine

PubChem CID: 167713319

2D Structure

Properties

C₇₃H₉₂N₁₄O₁₅S₂

Molecular Formula

1469.70

Molecular Weight

g/mol

1468.6308

Exact Mass

1.5

XLogP

Drug-like (Lipinski: < 5)

506

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3300

Complexity

SMILES

Canonical SMILES

SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCC(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCC(=O)NC6CSSCC(NC(=O)C7CCCN7C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC6=O)CCCN=C(N)N)CC(=O)O)CO)C(=O)NC(CCCCN)C(=O)O)C=CC8=CC=CC=C85)(C)C)C

Isomeric SMILES

SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCC(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCC(=O)N[C@@H]6CSSC[C@H](NC(=O)[C@@H]7CCCN7C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC6=O)CCCN=C(N)N)CC(=O)O)CO)C(=O)N[C@@H](CCCCN)C(=O)O)C=CC8=CC=CC=C85)(C)C)C

Synonyms(10)

2041574-23-4Cronexitide LanocianineM48HCF27ZEcronexitide lanocianine [INN]LS301-ITorb3142536LS-301CRONEXITIDE LANOCIANINE [USAN]Cypate-Cyclo(Cys-Gly-Arg-Asp-Ser-Pro-Cys)-Lys-OH (LS301)Cypate-D-Cysteyl-L-Glycyl-L-Arginyl-L-Aspartyl-L-Seryl-L-Prolyl-L-Cysteyl-L-Lysine cyclic (2->8)-disulfide

Data from PubChem (NCBI)

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Molecular Structure

Cronexitide Lanocianine

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Source: PubChem

Drug Network

Trials and conditions connected to Cronexitide Lanocianine

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