2-[3-[(2S)-5-[(6-bromanyl-1H-indol-3-yl)-(6-bromanyl-3-oxidanylidene-1H-2,1-benzoxazol-7-yl)-oxidanyl-methyl]-3,6-bis(oxidanylidene)piperazin-2-yl]propyl]guanidine

Systemtic Name: 2-[3-[(2S)-5-[(6-bromanyl-1H-indol-3-yl)-(6-bromanyl-3-oxidanylidene-1H-2,1-benzoxazol-7-yl)-oxidanyl-methyl]-3,6-bis(oxidanylidene)piperazin-2-yl]propyl]guanidine Openeye Name: 2-[3-[(2S)-5-[(6-bromo-1H-indol-3-yl)-(6-bromo-3-oxo-1H-2,1-benzoxazol-7-yl)-hydroxy-methyl]-3,6-dioxo-piperazin-2-yl]propyl]guanidine CAS Name: 2-[3-[(2S)-5-[(6-bromo-1H-indol-3-yl)-(6-bromo-3-oxo-1H-2,1-benzoxazol-7-yl)-hydroxymethyl]-3,6-dioxo-2-piperazinyl]propyl]guanidine IUPAC Name: 2-[3-[(2S)-5-[(6-bromo-1H-indol-3-yl)-(6-bromo-3-oxo-1H-2,1-benzoxazol-7-yl)-hydroxymethyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine Traditional Name: 2-[3-[(2S)-5-[(6-bromo-1H-indol-3-yl)-(6-bromo-3-keto-1H-anthranil-7-yl)-hydroxy-methyl]-3,6-diketo-piperazin-2-yl]propyl]guanidine Formula: C24H23Br2N7O5 MolecularWeight: 649.29132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)NC=C2C(C3C(=O)NC(C(=O)N3)CCCN=C(N)N)(C4=C(C=CC5=C4NOC5=O)Br)O

Isomeric SMILES

C1=CC2=C(C=C1Br)NC=C2C(C3C(=O)N[C@H](C(=O)N3)CCCN=C(N)N)(C4=C(C=CC5=C4NOC5=O)Br)O

InChI

InChI=1S/C24H23Br2N7O5/c25-10-3-4-11-13(9-30-16(11)8-10)24(37,17-14(26)6-5-12-18(17)33-38-22(12)36)19-21(35)31-15(20(34)32-19)2-1-7-29-23(27)28/h3-6,8-9,15,19,30,33,37H,1-2,7H2,(H,31,35)(H,32,34)(H4,27,28,29)/t15-,19?,24?/m0/s1