(3S,6S)-6-azanyl-N-[(2S,3S)-6-[bis(azanyl)methylideneamino]-2-oxidanyl-1-oxidanylidene-1-(phenethylamino)hexan-3-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-[(2S,3S)-6-[bis(azanyl)methylideneamino]-2-oxidanyl-1-oxidanylidene-1-(phenethylamino)hexan-3-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-guanidino-1-[(1S)-1-hydroxy-2-oxo-2-(phenethylamino)ethyl]butyl]-5-oxo-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxamide CAS Name: (3S,6S)-6-amino-N-[(2S,3S)-6-(diaminomethylideneamino)-2-hydroxy-1-oxo-1-(phenethylamino)hexan-3-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-[(2S,3S)-6-(diaminomethylideneamino)-2-hydroxy-1-oxo-1-(phenethylamino)hexan-3-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-guanidino-1-[(1S)-1-hydroxy-2-keto-2-(phenethylamino)ethyl]butyl]-5-keto-2,3,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-3-carboxamide Formula: C30H42N8O4 MolecularWeight: 578.70568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC(C(=O)N2C1C(=O)NC(CCCN=C(N)N)C(C(=O)NCCC3=CC=CC=C3)O)(CC4=CC=CC=C4)N

Isomeric SMILES

C1CN2CC[C@](C(=O)N2[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)[C@@H](C(=O)NCCC3=CC=CC=C3)O)(CC4=CC=CC=C4)N

InChI

InChI=1S/C30H42N8O4/c31-29(32)35-16-7-12-23(25(39)27(41)34-17-13-21-8-3-1-4-9-21)36-26(40)24-14-18-37-19-15-30(33,28(42)38(24)37)20-22-10-5-2-6-11-22/h1-6,8-11,23-25,39H,7,12-20,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t23-,24-,25-,30+/m0/s1