bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide

C193H255N29O19 — CID 158073961

About bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide

bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide (PubChem CID 158073961) has the molecular formula C193H255N29O19 and a molecular weight of 3285.35 g/mol. Its IUPAC name is bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide.

Molecular Properties

• Compound Name: bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide
• PubChem CID: 158073961
• Molecular Formula: C193H255N29O19
• Molecular Weight: 3285.35 g/mol
• Exact Mass: 3282.99
• IUPAC Name: bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide
• SMILES: CCNC[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C(=O)[C@@H]1NC(=O)[C@H](CC)NC.CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.CC[C@H](NC)C(=O)N[C@H]1C(=O)N2[C@@H](CC[C@@H]1CN(C)C)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.CC[C@H](NC)C(=O)N[C@H]1C(=O)N2[C@@H](CC[C@@H]1CNCc1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.CC[C@H](NC)C(=O)N[C@H]1C(=O)N2[C@@H](CC[C@@H]1CNCc1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C36H45N5O3.2C31H43N5O3.C30H41N5O3.C29H38N4O4/c2*1-3-30(37-2)34(42)40-33-28(24-38-23-25-13-7-4-8-14-25)19-20-29-21-22-31(41(29)36(33)44)35(43)39-32(26-15-9-5-10-16-26)27-17-11-6-12-18-27;1-5-25(32-2)29(37)34-28-23(20-35(3)4)16-17-24-18-19-26(36(24)31(28)39)30(38)33-27(21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-4-25(32-3)29(37)35-28-23(20-33-5-2)16-17-24-18-19-26(36(24)31(28)39)30(38)34-27(21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-4-24(32-3)28(36)34-27-22(19-31-2)15-16-23-17-18-25(35(23)30(27)38)29(37)33-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-3-23(30-2)27(35)32-26-21(18-34)14-15-22-16-17-24(33(22)29(26)37)28(36)31-25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2*4-18,28-33,37-38H,3,19-24H2,1-2H3,(H,39,43)(H,40,42);6-15,23-28,32H,5,16-20H2,1-4H3,(H,33,38)(H,34,37);6-15,23-28,32-33H,4-5,16-20H2,1-3H3,(H,34,38)(H,35,37);5-14,22-27,31-32H,4,15-19H2,1-3H3,(H,33,37)(H,34,36);4-13,21-26,30,34H,3,14-18H2,1-2H3,(H,31,36)(H,32,35)/t2*28-,29+,30+,31+,33-;2*23-,24+,25+,26+,28-;22-,23+,24+,25+,27+;21-,22+,23+,24+,26+/m111111/s1
• InChIKey: FMDMEFFILOKISR-QGJQOFTGSA-N
• XLogP: 17.83
• TPSA: 614.83 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 30
• Rotatable Bonds: 64
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3285.35
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide?

The IUPAC name of bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide (CID 158073961) is bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide.

What is the SMILES notation for bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide?

The canonical SMILES for bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide is CCNC[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C(=O)[C@@H]1NC(=O)[C@H](CC)NC.CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.CC[C@H](NC)C(=O)N[C@H]1C(=O)N2[C@@H](CC[C@@H]1CN(C)C)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.CC[C@H](NC)C(=O)N[C@H]1C(=O)N2[C@@H](CC[C@@H]1CNCc1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.CC[C@H](NC)C(=O)N[C@H]1C(=O)N2[C@@H](CC[C@@H]1CNCc1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1.

What is the InChIKey of bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide?

The InChIKey is FMDMEFFILOKISR-QGJQOFTGSA-N. The full InChI is InChI=1S/2C36H45N5O3.2C31H43N5O3.C30H41N5O3.C29H38N4O4/c2*1-3-30(37-2)34(42)40-33-28(24-38-23-25-13-7-4-8-14-25)19-20-29-21-22-31(41(29)36(33)44)35(43)39-32(26-15-9-5-10-16-26)27-17-11-6-12-18-27;1-5-25(32-2)29(37)34-28-23(20-35(3)4)16-17-24-18-19-26(36(24)31(28)39)30(38)33-27(21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-4-25(32-3)29(37)35-28-23(20-33-5-2)16-17-24-18-19-26(36(24)31(28)39)30(38)34-27(21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-4-24(32-3)28(36)34-27-22(19-31-2)15-16-23-17-18-25(35(23)30(27)38)29(37)33-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-3-23(30-2)27(35)32-26-21(18-34)14-15-22-16-17-24(33(22)29(26)37)28(36)31-25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h2*4-18,28-33,37-38H,3,19-24H2,1-2H3,(H,39,43)(H,40,42);6-15,23-28,32H,5,16-20H2,1-4H3,(H,33,38)(H,34,37);6-15,23-28,32-33H,4-5,16-20H2,1-3H3,(H,34,38)(H,35,37);5-14,22-27,31-32H,4,15-19H2,1-3H3,(H,33,37)(H,34,36);4-13,21-26,30,34H,3,14-18H2,1-2H3,(H,31,36)(H,32,35)/t2*28-,29+,30+,31+,33-;2*23-,24+,25+,26+,28-;22-,23+,24+,25+,27+;21-,22+,23+,24+,26+/m111111/s1.

What are the key properties of bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide?

bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide has a molecular weight of 3285.35 g/mol, XLogP of 17.83, 64 rotatable bonds, 23 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis((3S,6S,7R,9aS)-N-benzhydryl-7-[(benzylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide);(3S,6S,7R,9aS)-N-benzhydryl-7-[(dimethylamino)methyl]-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-7-(ethylaminomethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7S,9aS)-N-benzhydryl-7-(hydroxymethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide;(3S,6S,7R,9aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)butanoyl]amino]-7-(methylaminomethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide is sourced from PubChem (CID 158073961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).