(2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate

C51H62N10O10 — CID 123968786

About (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate

(2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate (PubChem CID 123968786) has the molecular formula C51H62N10O10 and a molecular weight of 975.12 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate
• PubChem CID: 123968786
• Molecular Formula: C51H62N10O10
• Molecular Weight: 975.12 g/mol
• Exact Mass: 974.47
• IUPAC Name: (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate
• SMILES: O=C(NCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2(CCCC2)NC(O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CC3CCCCC3N2C(=O)C2CCCN2C1=O)On1c(O)ccc1O
• InChI: InChI=1S/C51H62N10O10/c62-42-17-18-43(63)61(42)71-50(70)52-22-19-36-47(67)59-23-9-16-40(59)48(68)60-39-15-6-1-10-29(39)26-41(60)46(66)56-38(25-31-28-54-35-14-5-3-12-33(31)35)45(65)58-51(20-7-8-21-51)49(69)57-37(44(64)55-36)24-30-27-53-34-13-4-2-11-32(30)34/h2-5,11-14,17-18,27-29,36-41,45,53-54,58,62-63,65H,1,6-10,15-16,19-26H2,(H,52,70)(H,55,64)(H,56,66)(H,57,69)
• InChIKey: WSSLWMXPHUCSHF-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 275.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	975.12
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate?

The IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate (CID 123968786) is (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate.

What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate?

The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate is O=C(NCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2(CCCC2)NC(O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CC3CCCCC3N2C(=O)C2CCCN2C1=O)On1c(O)ccc1O.

What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate?

The InChIKey is WSSLWMXPHUCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H62N10O10/c62-42-17-18-43(63)61(42)71-50(70)52-22-19-36-47(67)59-23-9-16-40(59)48(68)60-39-15-6-1-10-29(39)26-41(60)46(66)56-38(25-31-28-54-35-14-5-3-12-33(31)35)45(65)58-51(20-7-8-21-51)49(69)57-37(44(64)55-36)24-30-27-53-34-13-4-2-11-32(30)34/h2-5,11-14,17-18,27-29,36-41,45,53-54,58,62-63,65H,1,6-10,15-16,19-26H2,(H,52,70)(H,55,64)(H,56,66)(H,57,69).

What are the key properties of (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate?

(2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate has a molecular weight of 975.12 g/mol, XLogP of 2.72, 8 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dihydroxypyrrol-1-yl) N-[2-[17-hydroxy-12,18-bis(1H-indol-3-ylmethyl)-2,8,11,14,20-pentaoxospiro[1,7,10,13,16,19-hexazatetracyclo[19.7.0.03,7.023,28]octacosane-15,1'-cyclopentane]-9-yl]ethyl]carbamate is sourced from PubChem (CID 123968786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).