(7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane

C35H42N4O7 — CID 159460679

About (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane

(7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane (PubChem CID 159460679) has the molecular formula C35H42N4O7 and a molecular weight of 630.74 g/mol. Its IUPAC name is (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane.

Molecular Properties

• Compound Name: (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane
• PubChem CID: 159460679
• Molecular Formula: C35H42N4O7
• Molecular Weight: 630.74 g/mol
• Exact Mass: 630.31
• IUPAC Name: (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane
• SMILES: C.CC(C)[C@H](O)C(=O)CC1Cc2ccc(O)c(c2)C2(CNc3ccccc32)c2oc(nc2-c2nc(CO)co2)[C@H](C(C)C)NC1=O
• InChI: InChI=1S/C34H38N4O7.CH4/c1-17(2)27-33-38-28(32-36-21(14-39)15-44-32)30(45-33)34(16-35-24-8-6-5-7-22(24)34)23-12-19(9-10-25(23)40)11-20(31(43)37-27)13-26(41)29(42)18(3)4;/h5-10,12,15,17-18,20,27,29,35,39-40,42H,11,13-14,16H2,1-4H3,(H,37,43);1H4/t20?,27-,29-,34?;/m0./s1
• InChIKey: LUOBQPXSBLJCTE-AUEFOGTJSA-N
• XLogP: 4.89
• TPSA: 170.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.74
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane?

The IUPAC name of (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane (CID 159460679) is (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane.

What is the SMILES notation for (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane?

The canonical SMILES for (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane is C.CC(C)[C@H](O)C(=O)CC1Cc2ccc(O)c(c2)C2(CNc3ccccc32)c2oc(nc2-c2nc(CO)co2)[C@H](C(C)C)NC1=O.

What is the InChIKey of (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane?

The InChIKey is LUOBQPXSBLJCTE-AUEFOGTJSA-N. The full InChI is InChI=1S/C34H38N4O7.CH4/c1-17(2)27-33-38-28(32-36-21(14-39)15-44-32)30(45-33)34(16-35-24-8-6-5-7-22(24)34)23-12-19(9-10-25(23)40)11-20(31(43)37-27)13-26(41)29(42)18(3)4;/h5-10,12,15,17-18,20,27,29,35,39-40,42H,11,13-14,16H2,1-4H3,(H,37,43);1H4/t20?,27-,29-,34?;/m0./s1.

What are the key properties of (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane?

(7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane has a molecular weight of 630.74 g/mol, XLogP of 4.89, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (7'S)-15'-hydroxy-4'-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-10'-[(3S)-3-hydroxy-4-methyl-2-oxopentyl]-7'-propan-2-ylspiro[1,2-dihydroindole-3,2'-17-oxa-5,8-diazatricyclo[10.3.1.13,6]heptadeca-1(15),3,5,12(16),13-pentaene]-9'-one;methane is sourced from PubChem (CID 159460679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).