N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium

C64H68N5O10Y- — CID 165018994

About N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium

N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium (PubChem CID 165018994) has the molecular formula C64H68N5O10Y- and a molecular weight of 1156.18 g/mol. Its IUPAC name is N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium.

Molecular Properties

• Compound Name: N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium
• PubChem CID: 165018994
• Molecular Formula: C64H68N5O10Y-
• Molecular Weight: 1156.18 g/mol
• Exact Mass: 1155.40
• IUPAC Name: N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium
• SMILES: COc1cc2c(cc1OCc1cc(COc3cc4c(cc3C)C(=O)N3c5ccccc5C[C@H]3CC4)cc(NC(=O)[C@H](C)CC(=O)[C@H](C)NC(=O)CCCCC(=O)CCCN3C(=O)C=CC3=O)c1)C[CH-][C@@H]1Cc3ccccc3N1C2.[Y]
• InChI: InChI=1S/C64H68N5O10.Y/c1-39-26-53-45(20-22-51-32-47-13-6-9-17-55(47)69(51)64(53)76)34-57(39)78-37-42-28-43(38-79-59-33-44-19-21-50-31-46-12-5-8-16-54(46)68(50)36-48(44)35-58(59)77-4)30-49(29-42)66-63(75)40(2)27-56(71)41(3)65-60(72)18-10-7-14-52(70)15-11-25-67-61(73)23-24-62(67)74;/h5-6,8-9,12-13,16-17,21,23-24,26,28-30,33-35,40-41,50-51H,7,10-11,14-15,18-20,22,25,27,31-32,36-38H2,1-4H3,(H,65,72)(H,66,75);/q-1;/t40-,41+,50-,51-;/m1./s1
• InChIKey: WSXLBIDHOMFUML-YUAWXPKDSA-N
• XLogP: 9.24
• TPSA: 180.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.18
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium?

The IUPAC name of N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium (CID 165018994) is N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium.

What is the SMILES notation for N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium?

The canonical SMILES for N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium is COc1cc2c(cc1OCc1cc(COc3cc4c(cc3C)C(=O)N3c5ccccc5C[C@H]3CC4)cc(NC(=O)[C@H](C)CC(=O)[C@H](C)NC(=O)CCCCC(=O)CCCN3C(=O)C=CC3=O)c1)C[CH-][C@@H]1Cc3ccccc3N1C2.[Y].

What is the InChIKey of N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium?

The InChIKey is WSXLBIDHOMFUML-YUAWXPKDSA-N. The full InChI is InChI=1S/C64H68N5O10.Y/c1-39-26-53-45(20-22-51-32-47-13-6-9-17-55(47)69(51)64(53)76)34-57(39)78-37-42-28-43(38-79-59-33-44-19-21-50-31-46-12-5-8-16-54(46)68(50)36-48(44)35-58(59)77-4)30-49(29-42)66-63(75)40(2)27-56(71)41(3)65-60(72)18-10-7-14-52(70)15-11-25-67-61(73)23-24-62(67)74;/h5-6,8-9,12-13,16-17,21,23-24,26,28-30,33-35,40-41,50-51H,7,10-11,14-15,18-20,22,25,27,31-32,36-38H2,1-4H3,(H,65,72)(H,66,75);/q-1;/t40-,41+,50-,51-;/m1./s1.

What are the key properties of N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium?

N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium has a molecular weight of 1156.18 g/mol, XLogP of 9.24, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,5R)-6-[3-[[(12aR)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[1,2-b][2]benzazepin-12-id-9-yl]oxymethyl]-5-[[(12aR)-8-methyl-6-oxo-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-9-yl]oxymethyl]anilino]-5-methyl-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-6-oxononanamide;yttrium is sourced from PubChem (CID 165018994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).