N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

C27H29N5O6 — CID 166494887

About N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 166494887) has the molecular formula C27H29N5O6 and a molecular weight of 519.56 g/mol. Its IUPAC name is N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 166494887
• Molecular Formula: C27H29N5O6
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.21
• IUPAC Name: N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N[C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(N)=O)[C@@H]3Cc4ccccc4O3)cc12
• InChI: InChI=1S/C27H29N5O6/c1-37-21-8-4-6-17-16(21)13-19(30-17)26(35)32-23(22-12-14-5-2-3-7-20(14)38-22)27(36)31-18(24(28)33)11-15-9-10-29-25(15)34/h2-8,13,15,18,22-23,30H,9-12H2,1H3,(H2,28,33)(H,29,34)(H,31,36)(H,32,35)/t15-,18-,22-,23-/m0/s1
• InChIKey: HFVNISCPQSPLPS-NPCGQVANSA-N
• XLogP: 0.77
• TPSA: 164.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide (CID 166494887) is N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N[C@H](C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(N)=O)[C@@H]3Cc4ccccc4O3)cc12.

What is the InChIKey of N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is HFVNISCPQSPLPS-NPCGQVANSA-N. The full InChI is InChI=1S/C27H29N5O6/c1-37-21-8-4-6-17-16(21)13-19(30-17)26(35)32-23(22-12-14-5-2-3-7-20(14)38-22)27(36)31-18(24(28)33)11-15-9-10-29-25(15)34/h2-8,13,15,18,22-23,30H,9-12H2,1H3,(H2,28,33)(H,29,34)(H,31,36)(H,32,35)/t15-,18-,22-,23-/m0/s1.

What are the key properties of N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?

N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 0.77, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 166494887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).