(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid

C138H151Cl6N27O49 — CID 161442991

About (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid

(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid (PubChem CID 161442991) has the molecular formula C138H151Cl6N27O49 and a molecular weight of 3184.58 g/mol. Its IUPAC name is (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid.

Molecular Properties

• Compound Name: (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid
• PubChem CID: 161442991
• Molecular Formula: C138H151Cl6N27O49
• Molecular Weight: 3184.58 g/mol
• Exact Mass: 3179.83
• IUPAC Name: (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid
• SMILES: CC(=O)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c3c(Cl)cccc3Cl)N2C1=O.CC(=O)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)N[C@H](C=O)CC(=O)O)N2C1=O.O=C(O)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)OCc3ccccc3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl.O=C(O)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl.O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12.O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3)C(=O)N12
• InChI: InChI=1S/C29H29Cl2N5O10.C28H27Cl2N5O9.C24H26Cl2N4O9.C21H24N4O7.C20H23N5O7.C16H22N4O7/c30-18-8-4-9-19(31)25(18)27(42)45-16-22(37)20(14-24(39)40)32-26(41)21-10-5-12-35-23(38)11-13-34(29(44)36(21)35)33-28(43)46-15-17-6-2-1-3-7-17;29-17-8-4-9-18(30)24(17)27(42)44-15-21(36)19(14-23(38)39)31-26(41)20-10-5-12-34-22(37)11-13-33(28(43)35(20)34)32-25(40)16-6-2-1-3-7-16;1-12(31)27-15-7-8-19(33)29-9-3-6-17(30(29)23(15)37)22(36)28-16(10-20(34)35)18(32)11-39-24(38)21-13(25)4-2-5-14(21)26;26-12-14(11-18(28)29)22-20(31)16-7-4-10-24-17(27)9-8-15(21(32)25(16)24)23-19(30)13-5-2-1-3-6-13;26-12-14(11-17(28)29)21-19(31)15-7-4-9-24-16(27)8-10-23(20(32)25(15)24)22-18(30)13-5-2-1-3-6-13;1-9(22)17-11-4-5-13(23)19-6-2-3-12(20(19)16(11)27)15(26)18-10(8-21)7-14(24)25/h1-4,6-9,20-21H,5,10-16H2,(H,32,41)(H,33,43)(H,39,40);1-4,6-9,19-20H,5,10-15H2,(H,31,41)(H,32,40)(H,38,39);2,4-5,15-17H,3,6-11H2,1H3,(H,27,31)(H,28,36)(H,34,35);1-3,5-6,12,14-16H,4,7-11H2,(H,22,31)(H,23,30)(H,28,29);1-3,5-6,12,14-15H,4,7-11H2,(H,21,31)(H,22,30)(H,28,29);8,10-12H,2-7H2,1H3,(H,17,22)(H,18,26)(H,24,25)/t20-,21-;19-,20-;15-,16-,17-;14-,15-,16-;14-,15-;10-,11-,12-/m000000/s1
• InChIKey: VZNKAUMQRKSELW-JMVGCBRMSA-N
• XLogP: 2.50
• TPSA: 1016.99 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 43
• Rotatable Bonds: 50
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3184.58
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid?

The IUPAC name of (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid (CID 161442991) is (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid.

What is the SMILES notation for (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid?

The canonical SMILES for (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid is CC(=O)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c3c(Cl)cccc3Cl)N2C1=O.CC(=O)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)N[C@H](C=O)CC(=O)O)N2C1=O.O=C(O)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)OCc3ccccc3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl.O=C(O)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl.O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12.O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3)C(=O)N12.

What is the InChIKey of (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid?

The InChIKey is VZNKAUMQRKSELW-JMVGCBRMSA-N. The full InChI is InChI=1S/C29H29Cl2N5O10.C28H27Cl2N5O9.C24H26Cl2N4O9.C21H24N4O7.C20H23N5O7.C16H22N4O7/c30-18-8-4-9-19(31)25(18)27(42)45-16-22(37)20(14-24(39)40)32-26(41)21-10-5-12-35-23(38)11-13-34(29(44)36(21)35)33-28(43)46-15-17-6-2-1-3-7-17;29-17-8-4-9-18(30)24(17)27(42)44-15-21(36)19(14-23(38)39)31-26(41)20-10-5-12-34-22(37)11-13-33(28(43)35(20)34)32-25(40)16-6-2-1-3-7-16;1-12(31)27-15-7-8-19(33)29-9-3-6-17(30(29)23(15)37)22(36)28-16(10-20(34)35)18(32)11-39-24(38)21-13(25)4-2-5-14(21)26;26-12-14(11-18(28)29)22-20(31)16-7-4-10-24-17(27)9-8-15(21(32)25(16)24)23-19(30)13-5-2-1-3-6-13;26-12-14(11-17(28)29)21-19(31)15-7-4-9-24-16(27)8-10-23(20(32)25(15)24)22-18(30)13-5-2-1-3-6-13;1-9(22)17-11-4-5-13(23)19-6-2-3-12(20(19)16(11)27)15(26)18-10(8-21)7-14(24)25/h1-4,6-9,20-21H,5,10-16H2,(H,32,41)(H,33,43)(H,39,40);1-4,6-9,19-20H,5,10-15H2,(H,31,41)(H,32,40)(H,38,39);2,4-5,15-17H,3,6-11H2,1H3,(H,27,31)(H,28,36)(H,34,35);1-3,5-6,12,14-16H,4,7-11H2,(H,22,31)(H,23,30)(H,28,29);1-3,5-6,12,14-15H,4,7-11H2,(H,21,31)(H,22,30)(H,28,29);8,10-12H,2-7H2,1H3,(H,17,22)(H,18,26)(H,24,25)/t20-,21-;19-,20-;15-,16-,17-;14-,15-,16-;14-,15-;10-,11-,12-/m000000/s1.

What are the key properties of (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid?

(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid has a molecular weight of 3184.58 g/mol, XLogP of 2.50, 50 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(4S,7S)-7-acetamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(4S,7S)-7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-4-oxobutanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-5-(2,6-dichlorobenzoyl)oxy-4-oxopentanoic acid;(3S)-3-[[(10S)-2-benzamido-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxobutanoic acid;(3S)-5-(2,6-dichlorobenzoyl)oxy-3-[[(10S)-1,5-dioxo-2-(phenylmethoxycarbonylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carbonyl]amino]-4-oxopentanoic acid is sourced from PubChem (CID 161442991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).