N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(pyridin-4-ylmethylamino)pentan-2-yl]-4-bromanyl-3-[2-(2,4-dichlorophenyl)ethoxy]-5-oxidanyl-benzamide

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(pyridin-4-ylmethylamino)pentan-2-yl]-4-bromanyl-3-[2-(2,4-dichlorophenyl)ethoxy]-5-oxidanyl-benzamide Openeye Name: 4-bromo-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1S)-4-guanidino-1-(4-pyridylmethylcarbamoyl)butyl]-5-hydroxy-benzamide CAS Name: 4-bromo-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(pyridin-4-ylmethylamino)pentan-2-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-5-hydroxybenzamide IUPAC Name: 4-bromo-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(pyridin-4-ylmethylamino)pentan-2-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-5-hydroxybenzamide Traditional Name: 4-bromo-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1S)-4-guanidino-1-(4-pyridylmethylcarbamoyl)butyl]-5-hydroxy-benzamide Formula: C27H29BrCl2N6O4 MolecularWeight: 652.36696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CCOC2=CC(=CC(=C2Br)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CCOC2=CC(=CC(=C2Br)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C27H29BrCl2N6O4/c28-24-22(37)12-18(13-23(24)40-11-7-17-3-4-19(29)14-20(17)30)25(38)36-21(2-1-8-34-27(31)32)26(39)35-15-16-5-9-33-10-6-16/h3-6,9-10,12-14,21,37H,1-2,7-8,11,15H2,(H,35,39)(H,36,38)(H4,31,32,34)/t21-/m0/s1