N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide

C83H90N16O17 — CID 157130213

About N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide

N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide (PubChem CID 157130213) has the molecular formula C83H90N16O17 and a molecular weight of 1583.73 g/mol. Its IUPAC name is N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide
• PubChem CID: 157130213
• Molecular Formula: C83H90N16O17
• Molecular Weight: 1583.73 g/mol
• Exact Mass: 1582.67
• IUPAC Name: N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide
• SMILES: C=C1CCC(C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)N1.Cc1cc(=O)oc2cc(NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc3ccccc3)NC(=O)C3CCCN3C(=O)C(CC(N)=O)NC(=O)C3CCC(=O)N3)ccc12
• InChI: InChI=1S/C44H46N8O9.C39H44N8O8/c1-24-18-39(55)61-36-21-27(13-14-28(24)36)47-41(57)33(20-26-23-46-30-11-6-5-10-29(26)30)49-42(58)32(19-25-8-3-2-4-9-25)50-43(59)35-12-7-17-52(35)44(60)34(22-37(45)53)51-40(56)31-15-16-38(54)48-31;1-20-15-34(49)55-32-17-24(11-12-25(20)32)44-37(52)29(16-23-19-41-27-8-5-4-7-26(23)27)45-35(50)22(3)43-38(53)31-9-6-14-47(31)39(54)30(18-33(40)48)46-36(51)28-13-10-21(2)42-28/h2-6,8-11,13-14,18,21,23,31-35,46H,7,12,15-17,19-20,22H2,1H3,(H2,45,53)(H,47,57)(H,48,54)(H,49,58)(H,50,59)(H,51,56);4-5,7-8,11-12,15,17,19,22,28-31,41-42H,2,6,9-10,13-14,16,18H2,1,3H3,(H2,40,48)(H,43,53)(H,44,52)(H,45,50)(H,46,51)
• InChIKey: AIZFATVWEUGERH-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 492.73 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1583.73
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide?

The IUPAC name of N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide (CID 157130213) is N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide.

What is the SMILES notation for N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide?

The canonical SMILES for N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide is C=C1CCC(C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)N1.Cc1cc(=O)oc2cc(NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc3ccccc3)NC(=O)C3CCCN3C(=O)C(CC(N)=O)NC(=O)C3CCC(=O)N3)ccc12.

What is the InChIKey of N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide?

The InChIKey is AIZFATVWEUGERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N8O9.C39H44N8O8/c1-24-18-39(55)61-36-21-27(13-14-28(24)36)47-41(57)33(20-26-23-46-30-11-6-5-10-29(26)30)49-42(58)32(19-25-8-3-2-4-9-25)50-43(59)35-12-7-17-52(35)44(60)34(22-37(45)53)51-40(56)31-15-16-38(54)48-31;1-20-15-34(49)55-32-17-24(11-12-25(20)32)44-37(52)29(16-23-19-41-27-8-5-4-7-26(23)27)45-35(50)22(3)43-38(53)31-9-6-14-47(31)39(54)30(18-33(40)48)46-36(51)28-13-10-21(2)42-28/h2-6,8-11,13-14,18,21,23,31-35,46H,7,12,15-17,19-20,22H2,1H3,(H2,45,53)(H,47,57)(H,48,54)(H,49,58)(H,50,59)(H,51,56);4-5,7-8,11-12,15,17,19,22,28-31,41-42H,2,6,9-10,13-14,16,18H2,1,3H3,(H2,40,48)(H,43,53)(H,44,52)(H,45,50)(H,46,51).

What are the key properties of N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide?

N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide has a molecular weight of 1583.73 g/mol, XLogP of 2.98, 28 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide;N-[4-amino-1-[2-[[1-[[3-(1H-indol-3-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-methylidenepyrrolidine-2-carboxamide is sourced from PubChem (CID 157130213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).