1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

C123H149N17O33 — CID 157267463

About 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate (PubChem CID 157267463) has the molecular formula C123H149N17O33 and a molecular weight of 2393.63 g/mol. Its IUPAC name is 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate.

Molecular Properties

• Compound Name: 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
• PubChem CID: 157267463
• Molecular Formula: C123H149N17O33
• Molecular Weight: 2393.63 g/mol
• Exact Mass: 2392.05
• IUPAC Name: 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
• SMILES: C=C1C[C@H]2C=Nc3cc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4[C@H](O)N5C(=O)OCc4ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)C5(C(=O)O)CCC5)cc4)c(OC)cc3C(=O)N2C1.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3CC(=C)C[C@H]3[C@H](O)N4C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C4(C(=O)OCC=C)CCC4)cc3)c(OC)cc2C(=O)N2CC(=C)C[C@H]2[C@@H]1O.NCCCCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C60H72N8O17.C54H63N7O14.C9H14N2O2/c1-7-22-83-56(75)60(19-13-20-60)55(74)64-41(14-12-21-62-57(61)76)50(69)63-38-17-15-37(16-18-38)34-85-59(78)68-43-31-49(47(80-6)29-40(43)52(71)66-33-36(4)27-45(66)54(68)73)82-25-11-9-10-24-81-48-30-42-39(28-46(48)79-5)51(70)65-32-35(3)26-44(65)53(72)67(42)58(77)84-23-8-2;1-31-20-35-27-57-39-25-45(43(71-3)23-36(39)47(63)59(35)28-31)73-18-6-5-7-19-74-46-26-40-37(24-44(46)72-4)48(64)60-29-32(2)21-41(60)49(65)61(40)53(70)75-30-34-13-11-33(12-14-34)22-42(62)38(10-8-17-56-52(55)69)58-50(66)54(51(67)68)15-9-16-54;10-6-2-1-3-7-11-8(12)4-5-9(11)13/h7-8,15-18,28-31,41,44-45,53-54,72-73H,1-4,9-14,19-27,32-34H2,5-6H3,(H,63,69)(H,64,74)(H3,61,62,76);11-14,23-27,35,38,41,49,65H,1-2,5-10,15-22,28-30H2,3-4H3,(H,58,66)(H,67,68)(H3,55,56,69);4-5H,1-3,6-7,10H2/t41-,44-,45-,53-,54-;35-,38-,41-,49-;/m00./s1
• InChIKey: AYDVYGKREYGUKX-VQPWVSGRSA-N
• XLogP: 10.99
• TPSA: 658.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 52
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2393.63
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate?

The IUPAC name of 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate (CID 157267463) is 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate.

What is the SMILES notation for 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate?

The canonical SMILES for 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate is C=C1C[C@H]2C=Nc3cc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4[C@H](O)N5C(=O)OCc4ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)C5(C(=O)O)CCC5)cc4)c(OC)cc3C(=O)N2C1.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3CC(=C)C[C@H]3[C@H](O)N4C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C4(C(=O)OCC=C)CCC4)cc3)c(OC)cc2C(=O)N2CC(=C)C[C@H]2[C@@H]1O.NCCCCCN1C(=O)C=CC1=O.

What is the InChIKey of 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate?

The InChIKey is AYDVYGKREYGUKX-VQPWVSGRSA-N. The full InChI is InChI=1S/C60H72N8O17.C54H63N7O14.C9H14N2O2/c1-7-22-83-56(75)60(19-13-20-60)55(74)64-41(14-12-21-62-57(61)76)50(69)63-38-17-15-37(16-18-38)34-85-59(78)68-43-31-49(47(80-6)29-40(43)52(71)66-33-36(4)27-45(66)54(68)73)82-25-11-9-10-24-81-48-30-42-39(28-46(48)79-5)51(70)65-32-35(3)26-44(65)53(72)67(42)58(77)84-23-8-2;1-31-20-35-27-57-39-25-45(43(71-3)23-36(39)47(63)59(35)28-31)73-18-6-5-7-19-74-46-26-40-37(24-44(46)72-4)48(64)60-29-32(2)21-41(60)49(65)61(40)53(70)75-30-34-13-11-33(12-14-34)22-42(62)38(10-8-17-56-52(55)69)58-50(66)54(51(67)68)15-9-16-54;10-6-2-1-3-7-11-8(12)4-5-9(11)13/h7-8,15-18,28-31,41,44-45,53-54,72-73H,1-4,9-14,19-27,32-34H2,5-6H3,(H,63,69)(H,64,74)(H3,61,62,76);11-14,23-27,35,38,41,49,65H,1-2,5-10,15-22,28-30H2,3-4H3,(H,58,66)(H,67,68)(H3,55,56,69);4-5H,1-3,6-7,10H2/t41-,44-,45-,53-,54-;35-,38-,41-,49-;/m00./s1.

What are the key properties of 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate?

1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate has a molecular weight of 2393.63 g/mol, XLogP of 10.99, 52 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(3S)-1-[4-[[(6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]oxymethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]carbamoyl]cyclobutane-1-carboxylic acid;1-(5-aminopentyl)pyrrole-2,5-dione;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[[4-[[(2S)-5-(carbamoylamino)-2-[(1-prop-2-enoxycarbonylcyclobutanecarbonyl)amino]pentanoyl]amino]phenyl]methoxycarbonyl]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate is sourced from PubChem (CID 157267463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).