(4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione

C24H32N6O5S — CID 15966499

About (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione

(4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione (PubChem CID 15966499) has the molecular formula C24H32N6O5S and a molecular weight of 516.62 g/mol. Its IUPAC name is (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione.

Molecular Properties

• Compound Name: (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione
• PubChem CID: 15966499
• Molecular Formula: C24H32N6O5S
• Molecular Weight: 516.62 g/mol
• Exact Mass: 516.22
• IUPAC Name: (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione
• SMILES: CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)[C@@H]2COC(=N2)[C@@H](C(C)C)NC(=O)c2nc1oc2C
• InChI: InChI=1S/C24H32N6O5S/c1-7-11(4)17-23-30-18(13(6)35-23)21(33)28-16(10(2)3)22-26-14(8-34-22)19(31)25-12(5)24-27-15(9-36-24)20(32)29-17/h9-12,14,16-17H,7-8H2,1-6H3,(H,25,31)(H,28,33)(H,29,32)/t11-,12+,14-,16+,17-/m0/s1
• InChIKey: RENDPYCTOXQSHL-XQHXRVFBSA-N
• XLogP: 2.70
• TPSA: 147.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.62
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione?

The IUPAC name of (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione (CID 15966499) is (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione.

What is the SMILES notation for (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione?

The canonical SMILES for (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione is CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)[C@@H]2COC(=N2)[C@@H](C(C)C)NC(=O)c2nc1oc2C.

What is the InChIKey of (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione?

The InChIKey is RENDPYCTOXQSHL-XQHXRVFBSA-N. The full InChI is InChI=1S/C24H32N6O5S/c1-7-11(4)17-23-30-18(13(6)35-23)21(33)28-16(10(2)3)22-26-14(8-34-22)19(31)25-12(5)24-27-15(9-36-24)20(32)29-17/h9-12,14,16-17H,7-8H2,1-6H3,(H,25,31)(H,28,33)(H,29,32)/t11-,12+,14-,16+,17-/m0/s1.

What are the key properties of (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione?

(4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione has a molecular weight of 516.62 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,11R,15S,18R)-4-[(2S)-butan-2-yl]-7,18-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione is sourced from PubChem (CID 15966499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).