5-azanyl-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid; (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-naphthalen-2-yl-pentanamide

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid; (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-naphthalen-2-yl-pentanamide Openeye Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid; (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-guanidino-N-(2-naphthyl)pentanamide CAS Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid; (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-N-(2-naphthalenyl)pentanamide IUPAC Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid; (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide Traditional Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazino]-6,8-difluoro-4-keto-quinoline-3-carboxylic acid; (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-5-guanidino-N-(2-naphthyl)valeramide Formula: C44H52F2N10O5 MolecularWeight: 838.944486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F.C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F.C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C25H30N6O2.C19H22F2N4O3/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20;1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29);7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t21-,22-;8-,9+/m0./s1