(3S,6S)-6-azanyl-N-[(1S,2S)-5-[bis(azanyl)methylamino]-1-(2,3-dihydro-1,3-thiazol-2-yl)-1-oxidanyl-pentan-2-yl]-5-oxidanylidene-6-(phenylmethyl)-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxamide

Systemtic Name: (3S,6S)-6-azanyl-N-[(1S,2S)-5-[bis(azanyl)methylamino]-1-(2,3-dihydro-1,3-thiazol-2-yl)-1-oxidanyl-pentan-2-yl]-5-oxidanylidene-6-(phenylmethyl)-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxamide Openeye Name: (3S,6S)-6-amino-6-benzyl-N-[(1S)-4-(diaminomethylamino)-1-[(S)-2,3-dihydrothiazol-2-yl(hydroxy)methyl]butyl]-5-oxo-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxamide CAS Name: (3S,6S)-6-amino-N-[(1S,2S)-5-(diaminomethylamino)-1-(2,3-dihydrothiazol-2-yl)-1-hydroxypentan-2-yl]-5-oxo-6-(phenylmethyl)-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxamide IUPAC Name: (3S,6S)-6-amino-6-benzyl-N-[(1S,2S)-5-(diaminomethylamino)-1-(2,3-dihydro-1,3-thiazol-2-yl)-1-hydroxypentan-2-yl]-5-oxo-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxamide Traditional Name: (3S,6S)-6-amino-6-benzyl-N-[(1S)-4-(diaminomethylamino)-1-[(S)-hydroxy(4-thiazolin-2-yl)methyl]butyl]-5-keto-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxamide Formula: C24H38N8O3S MolecularWeight: 518.67532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC(C(=O)N2C1C(=O)NC(CCCNC(N)N)C(C3NC=CS3)O)(CC4=CC=CC=C4)N

Isomeric SMILES

C1CN2CC[C@](C(=O)N2[C@@H]1C(=O)N[C@@H](CCCNC(N)N)[C@@H](C3NC=CS3)O)(CC4=CC=CC=C4)N

InChI

InChI=1S/C24H38N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-19,21,23,28-29,33H,4,7-10,12-13,15,25-27H2,(H,30,34)/t17-,18-,19-,21?,24+/m0/s1