4-[[4-[(2S)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboximidamide

Systemtic Name: 4-[[4-[(2S)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboximidamide Openeye Name: 4-[4-[(2S)-3-(3-carbamimidoylphenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboxamidine CAS Name: 4-[[4-[(2S)-3-(3-carbamimidoylphenyl)-1-oxo-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propyl]-1,4-diazepan-1-yl]-oxomethyl]-1-piperidinecarboximidamide IUPAC Name: 4-[4-[(2S)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboximidamide Traditional Name: 4-[4-[(2S)-3-(3-amidinophenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]-1,4-diazepane-1-carbonyl]piperidine-1-carboxamidine Formula: C37H56N8O4S MolecularWeight: 708.95674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NC(CC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCN(CC3)C(=O)C4CCN(CC4)C(=N)N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N[C@@H](CC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCN(CC3)C(=O)C4CCN(CC4)C(=N)N)C(C)C

InChI

InChI=1S/C37H56N8O4S/c1-23(2)29-21-30(24(3)4)33(31(22-29)25(5)6)50(48,49)42-32(20-26-9-7-10-28(19-26)34(38)39)36(47)44-14-8-13-43(17-18-44)35(46)27-11-15-45(16-12-27)37(40)41/h7,9-10,19,21-25,27,32,42H,8,11-18,20H2,1-6H3,(H3,38,39)(H3,40,41)/t32-/m0/s1