(3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid

C145H154N24O47S2 — CID 160626549

About (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid

(3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid (PubChem CID 160626549) has the molecular formula C145H154N24O47S2 and a molecular weight of 3049.08 g/mol. Its IUPAC name is (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid
• PubChem CID: 160626549
• Molecular Formula: C145H154N24O47S2
• Molecular Weight: 3049.08 g/mol
• Exact Mass: 3046.98
• IUPAC Name: (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid
• SMILES: CC(=O)N1C[C@H](NC(=O)/C=C/c2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NC(=O)Cc2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NC(=O)OCc2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NC(=O)O[C@H]2CCOC2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NS(=O)(=O)Cc2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21
• InChI: InChI=1S/C26H26N4O7.C25H26N4O8.C25H26N4O7.C24H26N4O8S.C23H24N4O8S.C22H26N4O9/c1-17(32)29-14-20(28-23(33)12-11-18-7-3-2-4-8-18)26(37)30(22-10-6-5-9-21(22)29)15-24(34)27-19(16-31)13-25(35)36;1-16(31)28-12-19(27-25(36)37-15-17-7-3-2-4-8-17)24(35)29(21-10-6-5-9-20(21)28)13-22(32)26-18(14-30)11-23(33)34;1-16(31)28-13-19(27-22(32)11-17-7-3-2-4-8-17)25(36)29(21-10-6-5-9-20(21)28)14-23(33)26-18(15-30)12-24(34)35;1-16(30)27-12-19(26-37(35,36)15-17-7-3-2-4-8-17)24(34)28(21-10-6-5-9-20(21)27)13-22(31)25-18(14-29)11-23(32)33;1-15(29)26-12-18(25-36(34,35)17-7-3-2-4-8-17)23(33)27(20-10-6-5-9-19(20)26)13-21(30)24-16(14-28)11-22(31)32;1-13(28)25-9-16(24-22(33)35-15-6-7-34-12-15)21(32)26(18-5-3-2-4-17(18)25)10-19(29)23-14(11-27)8-20(30)31/h2-12,16,19-20H,13-15H2,1H3,(H,27,34)(H,28,33)(H,35,36);2-10,14,18-19H,11-13,15H2,1H3,(H,26,32)(H,27,36)(H,33,34);2-10,15,18-19H,11-14H2,1H3,(H,26,33)(H,27,32)(H,34,35);2-10,14,18-19,26H,11-13,15H2,1H3,(H,25,31)(H,32,33);2-10,14,16,18,25H,11-13H2,1H3,(H,24,30)(H,31,32);2-5,11,14-16H,6-10,12H2,1H3,(H,23,29)(H,24,33)(H,30,31)/b12-11+;;;;;/t19-,20-;3*18-,19-;16-,18-;14-,15-,16-/m000000/s1
• InChIKey: RHJKIHHKACDYAR-DNBOHVFOSA-N
• XLogP: 1.21
• TPSA: 980.97 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 41
• Rotatable Bonds: 54
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3049.08
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid?

The IUPAC name of (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid (CID 160626549) is (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid.

What is the SMILES notation for (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid?

The canonical SMILES for (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid is CC(=O)N1C[C@H](NC(=O)/C=C/c2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NC(=O)Cc2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NC(=O)OCc2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NC(=O)O[C@H]2CCOC2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NS(=O)(=O)Cc2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.CC(=O)N1C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21.

What is the InChIKey of (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid?

The InChIKey is RHJKIHHKACDYAR-DNBOHVFOSA-N. The full InChI is InChI=1S/C26H26N4O7.C25H26N4O8.C25H26N4O7.C24H26N4O8S.C23H24N4O8S.C22H26N4O9/c1-17(32)29-14-20(28-23(33)12-11-18-7-3-2-4-8-18)26(37)30(22-10-6-5-9-21(22)29)15-24(34)27-19(16-31)13-25(35)36;1-16(31)28-12-19(27-25(36)37-15-17-7-3-2-4-8-17)24(35)29(21-10-6-5-9-20(21)28)13-22(32)26-18(14-30)11-23(33)34;1-16(31)28-13-19(27-22(32)11-17-7-3-2-4-8-17)25(36)29(21-10-6-5-9-20(21)28)14-23(33)26-18(15-30)12-24(34)35;1-16(30)27-12-19(26-37(35,36)15-17-7-3-2-4-8-17)24(34)28(21-10-6-5-9-20(21)27)13-22(31)25-18(14-29)11-23(32)33;1-15(29)26-12-18(25-36(34,35)17-7-3-2-4-8-17)23(33)27(20-10-6-5-9-19(20)26)13-21(30)24-16(14-28)11-22(31)32;1-13(28)25-9-16(24-22(33)35-15-6-7-34-12-15)21(32)26(18-5-3-2-4-17(18)25)10-19(29)23-14(11-27)8-20(30)31/h2-12,16,19-20H,13-15H2,1H3,(H,27,34)(H,28,33)(H,35,36);2-10,14,18-19H,11-13,15H2,1H3,(H,26,32)(H,27,36)(H,33,34);2-10,15,18-19H,11-14H2,1H3,(H,26,33)(H,27,32)(H,34,35);2-10,14,18-19,26H,11-13,15H2,1H3,(H,25,31)(H,32,33);2-10,14,16,18,25H,11-13H2,1H3,(H,24,30)(H,31,32);2-5,11,14-16H,6-10,12H2,1H3,(H,23,29)(H,24,33)(H,30,31)/b12-11+;;;;;/t19-,20-;3*18-,19-;16-,18-;14-,15-,16-/m000000/s1.

What are the key properties of (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid?

(3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid has a molecular weight of 3049.08 g/mol, XLogP of 1.21, 54 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[[2-[(3S)-1-acetyl-3-(benzenesulfonamido)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-3-(benzylsulfonylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[(2-phenylacetyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid;(3S)-3-[[2-[(3S)-1-acetyl-4-oxo-3-[[(E)-3-phenylprop-2-enoyl]amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 160626549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).