(3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide

C121H148N18O27S — CID 161453478

About (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide

(3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide (PubChem CID 161453478) has the molecular formula C121H148N18O27S and a molecular weight of 2318.68 g/mol. Its IUPAC name is (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide
• PubChem CID: 161453478
• Molecular Formula: C121H148N18O27S
• Molecular Weight: 2318.68 g/mol
• Exact Mass: 2317.05
• IUPAC Name: (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide
• SMILES: CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)C[C@@H](NC(=O)CCc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)C[C@H](NC(=O)CCc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2CC[C@H](NC(=O)CCc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CS[C@@H]2CCC[C@H](NC(=O)CCc3ccccc3)C(=O)N21.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1Cc2ccccc2[C@H]2CCC[C@H](NC(=O)CCc3ccccc3)C(=O)N21
• InChI: InChI=1S/C29H33N3O5.2C23H28N4O6.C23H30N4O5.C23H29N3O5S/c1-19(34)16-22(18-33)30-28(36)26-17-21-10-5-6-11-23(21)25-13-7-12-24(29(37)32(25)26)31-27(35)15-14-20-8-3-2-4-9-20;2*1-15(29)12-17(14-28)24-22(32)19-8-5-11-26-21(31)13-18(23(33)27(19)26)25-20(30)10-9-16-6-3-2-4-7-16;1-16(29)14-18(15-28)24-22(31)20-8-5-12-26-13-11-19(23(32)27(20)26)25-21(30)10-9-17-6-3-2-4-7-17;1-15(28)12-17(13-27)24-22(30)19-14-32-21-9-5-8-18(23(31)26(19)21)25-20(29)11-10-16-6-3-2-4-7-16/h2-6,8-11,18,22,24-26H,7,12-17H2,1H3,(H,30,36)(H,31,35);2*2-4,6-7,14,17-19H,5,8-13H2,1H3,(H,24,32)(H,25,30);2-4,6-7,15,18-20H,5,8-14H2,1H3,(H,24,31)(H,25,30);2-4,6-7,13,17-19,21H,5,8-12,14H2,1H3,(H,24,30)(H,25,29)/t22-,24-,25+,26-;17-,18+,19-;17-,18-,19-;18-,19-,20-;17-,18-,19-,21+/m00000/s1
• InChIKey: WAVMPWZOYNQGFY-LTMNGVFUSA-N
• XLogP: 3.85
• TPSA: 607.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 45
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2318.68
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide?

The IUPAC name of (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide (CID 161453478) is (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide.

What is the SMILES notation for (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide?

The canonical SMILES for (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide is CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)C[C@@H](NC(=O)CCc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)C[C@H](NC(=O)CCc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2CC[C@H](NC(=O)CCc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CS[C@@H]2CCC[C@H](NC(=O)CCc3ccccc3)C(=O)N21.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1Cc2ccccc2[C@H]2CCC[C@H](NC(=O)CCc3ccccc3)C(=O)N21.

What is the InChIKey of (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide?

The InChIKey is WAVMPWZOYNQGFY-LTMNGVFUSA-N. The full InChI is InChI=1S/C29H33N3O5.2C23H28N4O6.C23H30N4O5.C23H29N3O5S/c1-19(34)16-22(18-33)30-28(36)26-17-21-10-5-6-11-23(21)25-13-7-12-24(29(37)32(25)26)31-27(35)15-14-20-8-3-2-4-9-20;2*1-15(29)12-17(14-28)24-22(32)19-8-5-11-26-21(31)13-18(23(33)27(19)26)25-20(30)10-9-16-6-3-2-4-7-16;1-16(29)14-18(15-28)24-22(31)20-8-5-12-26-13-11-19(23(32)27(20)26)25-21(30)10-9-17-6-3-2-4-7-17;1-15(28)12-17(13-27)24-22(30)19-14-32-21-9-5-8-18(23(31)26(19)21)25-20(29)11-10-16-6-3-2-4-7-16/h2-6,8-11,18,22,24-26H,7,12-17H2,1H3,(H,30,36)(H,31,35);2*2-4,6-7,14,17-19H,5,8-13H2,1H3,(H,24,32)(H,25,30);2-4,6-7,15,18-20H,5,8-14H2,1H3,(H,24,31)(H,25,30);2-4,6-7,13,17-19,21H,5,8-12,14H2,1H3,(H,24,30)(H,25,29)/t22-,24-,25+,26-;17-,18+,19-;17-,18-,19-;18-,19-,20-;17-,18-,19-,21+/m00000/s1.

What are the key properties of (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide?

(3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide has a molecular weight of 2318.68 g/mol, XLogP of 3.85, 45 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6S,9aR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-6-(3-phenylpropanoylamino)-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(4S,7S,12bR)-N-[(2S)-1,4-dioxopentan-2-yl]-5-oxo-4-(3-phenylpropanoylamino)-2,3,4,7,8,12b-hexahydro-1H-azepino[2,1-a]isoquinoline-7-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3R,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,4-dioxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-6-carboxamide;(3S,6S)-N-[(2S)-1,4-dioxopentan-2-yl]-4-oxo-3-(3-phenylpropanoylamino)-2,3,6,7,8,9-hexahydro-1H-pyridazino[1,2-a]pyridazine-6-carboxamide is sourced from PubChem (CID 161453478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).