ethyl 3-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: ethyl 3-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino]-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propanoate Openeye Name: ethyl 3-(3,5-dibromo-4-hydroxy-phenyl)-3-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]propanoate CAS Name: 3-[[2-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-dibromo-4-hydroxy-phenyl)-3-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]propionic acid ethyl ester Formula: C21H23Br2N5O5 MolecularWeight: 585.24582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=C(C(=C1)Br)O)Br)NC(=O)CNC(=O)C2=CC(=CC=C2)N=C(N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC(=C(C(=C1)Br)O)Br)NC(=O)CNC(=O)C2=CC(=CC=C2)N=C(N)N

InChI

InChI=1S/C21H23Br2N5O5/c1-2-33-18(30)9-16(12-7-14(22)19(31)15(23)8-12)28-17(29)10-26-20(32)11-4-3-5-13(6-11)27-21(24)25/h3-8,16,31H,2,9-10H2,1H3,(H,26,32)(H,28,29)(H4,24,25,27)