N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide

C34H38N8O7 — CID 154565292

About N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide

N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide (PubChem CID 154565292) has the molecular formula C34H38N8O7 and a molecular weight of 670.73 g/mol. Its IUPAC name is N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide
• PubChem CID: 154565292
• Molecular Formula: C34H38N8O7
• Molecular Weight: 670.73 g/mol
• Exact Mass: 670.29
• IUPAC Name: N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide
• SMILES: CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc[nH]c3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O
• InChI: InChI=1S/C34H38N8O7/c1-18(2)11-23-29(44)36-19(3)32-41-26(17-48-32)34(47)42-15-22(37-28(43)21-9-10-35-14-21)13-27(42)31(46)39-24(12-20-7-5-4-6-8-20)33-40-25(16-49-33)30(45)38-23/h4-10,14,16-19,22-24,27,35H,11-13,15H2,1-3H3,(H,36,44)(H,37,43)(H,38,45)(H,39,46)/t19-,22+,23-,24+,27+/m1/s1
• InChIKey: HOICEIHBWOHDDO-CFCGIFGPSA-N
• XLogP: 2.44
• TPSA: 204.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.73
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide (CID 154565292) is N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide is CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc[nH]c3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O.

What is the InChIKey of N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide?

The InChIKey is HOICEIHBWOHDDO-CFCGIFGPSA-N. The full InChI is InChI=1S/C34H38N8O7/c1-18(2)11-23-29(44)36-19(3)32-41-26(17-48-32)34(47)42-15-22(37-28(43)21-9-10-35-14-21)13-27(42)31(46)39-24(12-20-7-5-4-6-8-20)33-40-25(16-49-33)30(45)38-23/h4-10,14,16-19,22-24,27,35H,11-13,15H2,1-3H3,(H,36,44)(H,37,43)(H,38,45)(H,39,46)/t19-,22+,23-,24+,27+/m1/s1.

What are the key properties of N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide?

N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 670.73 g/mol, XLogP of 2.44, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 154565292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).