N-[2-[[4-[bis(azanyl)methylideneamino]phenyl]methylamino]-2-oxidanylidene-ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-oxidanyl-propanamide

Systemtic Name: N-[2-[[4-[bis(azanyl)methylideneamino]phenyl]methylamino]-2-oxidanylidene-ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-oxidanyl-propanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-N-[2-[(4-guanidinophenyl)methylamino]-2-oxo-ethyl]-3-hydroxy-propanamide CAS Name: N-[2-[[4-(diaminomethylideneamino)phenyl]methylamino]-2-oxoethyl]-2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-3-hydroxypropanamide IUPAC Name: N-[2-[[4-(diaminomethylideneamino)phenyl]methylamino]-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-hydroxypropanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-N-[2-[(4-guanidinobenzyl)amino]-2-keto-ethyl]-3-hydroxy-propionamide Formula: C22H27N7O6 MolecularWeight: 485.49308

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(CO)C(=O)NCC(=O)NCC3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(CO)C(=O)NCC(=O)NCC3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C22H27N7O6/c23-21(24)27-14-3-1-13(2-4-14)10-25-19(31)11-26-20(32)16(12-30)29-22(33)28-15-5-6-17-18(9-15)35-8-7-34-17/h1-6,9,16,30H,7-8,10-12H2,(H,25,31)(H,26,32)(H4,23,24,27)(H2,28,29,33)