O=C(OCc1ccccc1)N1CCCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)NS(=O)(=O)c2cccc3cnccc23)CC1

Name: amorphous compound

IUPAC: benzyl 4-[(2S)-2-(isoquinolin-5-ylsulfonylamino)-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate

SMILES: O=C(OCc1ccccc1)N1CCCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)NS(=O)(=O)c2cccc3cnccc23)CC1

Canonical SMILES: C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC5=C4C=CN=C5)NS(=O)(=O)C6=CC=CC7=C6C=CN=C7

Summenformel: C40H37N5O8S2

Molare Masse: 779.90

InChIKey: GGVKGHAGKLLSML-BHVANESWSA-N

InChI:

InChI=1S/C40H37N5O8S2/c46-39(44-21-6-22-45(24-23-44)40(47)52-28-30-7-2-1-3-8-30)36(43-54(48,49)37-11-4-9-31-26-41-19-17-34(31)37)25-29-13-15-33(16-14-29)53-55(50,51)38-12-5-10-32-27-42-20-18-35(32)38/h1-5,7-20,26-27,36,43H,6,21-25,28H2/t36-/m0/s1

PubChem CID: 53837632 →

Synonyme

SCHEMBL9483789GGVKGHAGKLLSML-BHVANESWSA-N1-Benzyloxycarbonyl-4-[N,O-bis (5-isoquinolinesulfonyl)tyrosyl]homopiperazine1-Benzyloxycarbonyl-4-[N,O-Bis(5-Isoquinolinesulfonyl)Tyrosyl]Homopiperazine

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