5-[bis(azanyl)methylideneamino]-N-[2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-N-[2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[(phenylmethyl)sulfonylamino]pentanamide Openeye Name: 2-(benzylsulfonylamino)-5-guanidino-N-[2-[[1-(1H-indol-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]amino]-2-oxo-ethyl]pentanamide CAS Name: 5-(diaminomethylideneamino)-N-[2-[[3-(1H-indol-3-yl)-1-oxo-1-(2-thiazolyl)propan-2-yl]amino]-2-oxoethyl]-2-[(phenylmethyl)sulfonylamino]pentanamide IUPAC Name: 2-(benzylsulfonylamino)-5-(diaminomethylideneamino)-N-[2-[[3-(1H-indol-3-yl)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-2-oxoethyl]pentanamide Traditional Name: 2-(benzylsulfonylamino)-5-guanidino-N-[2-[[1-(1H-indol-3-ylmethyl)-2-keto-2-thiazol-2-yl-ethyl]amino]-2-keto-ethyl]valeramide Formula: C29H34N8O5S2 MolecularWeight: 638.76086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)C4=NC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)C4=NC=CS4

InChI

InChI=1S/C29H34N8O5S2/c30-29(31)33-12-6-11-23(37-44(41,42)18-19-7-2-1-3-8-19)27(40)35-17-25(38)36-24(26(39)28-32-13-14-43-28)15-20-16-34-22-10-5-4-9-21(20)22/h1-5,7-10,13-14,16,23-24,34,37H,6,11-12,15,17-18H2,(H,35,40)(H,36,38)(H4,30,31,33)