(2R)-5-[[azanyl(nitramido)methylidene]amino]-N-[4-[3-[[(2R)-5-[[azanyl(nitramido)methylidene]amino]-2-[2-(5-bromanyl-1H-indol-3-yl)ethanoylamino]pentanoyl]amino]propylamino]butyl]-2-[2-(5-bromanyl-1H-indol-3-yl)ethanoylamino]pentanamide

Systemtic Name: (2R)-5-[[azanyl(nitramido)methylidene]amino]-N-[4-[3-[[(2R)-5-[[azanyl(nitramido)methylidene]amino]-2-[2-(5-bromanyl-1H-indol-3-yl)ethanoylamino]pentanoyl]amino]propylamino]butyl]-2-[2-(5-bromanyl-1H-indol-3-yl)ethanoylamino]pentanamide Openeye Name: (2R)-5-[[amino(nitramido)methylene]amino]-N-[4-[3-[[(2R)-5-[[amino(nitramido)methylene]amino]-2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]propylamino]butyl]-2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]pentanamide CAS Name: (2R)-5-[[amino(nitramido)methylidene]amino]-N-[4-[3-[[(2R)-5-[[amino(nitramido)methylidene]amino]-2-[[2-(5-bromo-1H-indol-3-yl)-1-oxoethyl]amino]-1-oxopentyl]amino]propylamino]butyl]-2-[[2-(5-bromo-1H-indol-3-yl)-1-oxoethyl]amino]pentanamide IUPAC Name: (2R)-5-[[amino(nitramido)methylidene]amino]-N-[4-[3-[[(2R)-5-[[amino(nitramido)methylidene]amino]-2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]propylamino]butyl]-2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]pentanamide Traditional Name: (2R)-5-[[amino(nitramido)methylene]amino]-N-[4-[3-[[(2R)-5-[[amino(nitramido)methylene]amino]-2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]propylamino]butyl]-2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]valeramide Formula: C39H53Br2N15O8 MolecularWeight: 1019.74182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CN2)CC(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)NCCCCNCCCNC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)CC3=CNC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CN2)CC(=O)N[C@H](CCCN=C(N)N[N+](=O)[O-])C(=O)NCCCCNCCCNC(=O)[C@@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)CC3=CNC4=C3C=C(C=C4)Br

InChI

InChI=1S/C39H53Br2N15O8/c40-26-8-10-30-28(20-26)24(22-49-30)18-34(57)51-32(6-3-15-47-38(42)53-55(61)62)36(59)45-14-2-1-12-44-13-5-17-46-37(60)33(7-4-16-48-39(43)54-56(63)64)52-35(58)19-25-23-50-31-11-9-27(41)21-29(25)31/h8-11,20-23,32-33,44,49-50H,1-7,12-19H2,(H,45,59)(H,46,60)(H,51,57)(H,52,58)(H3,42,47,53)(H3,43,48,54)/t32-,33-/m1/s1