N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide

C124H123N21O15 — CID 146397902

About N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide

N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide (PubChem CID 146397902) has the molecular formula C124H123N21O15 and a molecular weight of 2147.48 g/mol. Its IUPAC name is N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide.

Molecular Properties

• Compound Name: N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide
• PubChem CID: 146397902
• Molecular Formula: C124H123N21O15
• Molecular Weight: 2147.48 g/mol
• Exact Mass: 2145.95
• IUPAC Name: N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide
• SMILES: Cc1ccc2c(c1C)OC1C(CC(=O)NCCCn3nnc4c3-c3ccccc3N(C(=O)CCC(=O)NCCCCC(NC(=O)CNC(=O)CCC(=O)N3Cc5ccccc5/C=C\c5ccccc53)C(=O)NCC(=O)NC(Cc3c[nH]c5ccccc35)C(=O)NC(Cc3c[nH]c5ccccc35)C(=O)NC(Cc3c[nH]c5ccccc35)C(=O)NC(C)C(=O)NC(Cc3c(-c5ccc6[nH]cc(C)c6c5)[nH]c5ccccc35)C(N)=O)Cc3ccccc3-4)=CC=CC1C2=O
• InChI: InChI=1S/C124H123N21O15/c1-71-44-48-91-116(153)90-36-23-29-78(118(90)160-117(91)73(71)3)61-108(148)127-55-24-56-145-115-89-35-14-20-43-105(89)144(70-80-28-7-9-33-87(80)114(115)141-142-145)112(152)52-50-106(146)126-54-22-21-41-99(135-109(149)67-132-107(147)51-53-111(151)143-69-79-27-6-5-25-75(79)45-46-76-26-8-19-42-104(76)143)121(156)133-68-110(150)136-101(58-81-64-129-94-37-15-10-30-84(81)94)123(158)140-103(60-83-66-131-96-39-17-12-32-86(83)96)124(159)139-102(59-82-65-130-95-38-16-11-31-85(82)95)122(157)134-74(4)120(155)138-100(119(125)154)62-93-88-34-13-18-40-98(88)137-113(93)77-47-49-97-92(57-77)72(2)63-128-97/h5-20,23,25-40,42-49,57,63-66,74,90,99-103,118,128-131,137H,21-22,24,41,50-56,58-62,67-70H2,1-4H3,(H2,125,154)(H,126,146)(H,127,148)(H,132,147)(H,133,156)(H,134,157)(H,135,149)(H,136,150)(H,138,155)(H,139,159)(H,140,158)/b46-45-
• InChIKey: WKIXANXRVLJLAM-KZXRXFMCSA-N
• XLogP: 13.29
• TPSA: 510.67 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 18
• Rotatable Bonds: 42
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.48
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide?

The IUPAC name of N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide (CID 146397902) is N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide.

What is the SMILES notation for N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide?

The canonical SMILES for N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide is Cc1ccc2c(c1C)OC1C(CC(=O)NCCCn3nnc4c3-c3ccccc3N(C(=O)CCC(=O)NCCCCC(NC(=O)CNC(=O)CCC(=O)N3Cc5ccccc5/C=C\c5ccccc53)C(=O)NCC(=O)NC(Cc3c[nH]c5ccccc35)C(=O)NC(Cc3c[nH]c5ccccc35)C(=O)NC(Cc3c[nH]c5ccccc35)C(=O)NC(C)C(=O)NC(Cc3c(-c5ccc6[nH]cc(C)c6c5)[nH]c5ccccc35)C(N)=O)Cc3ccccc3-4)=CC=CC1C2=O.

What is the InChIKey of N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide?

The InChIKey is WKIXANXRVLJLAM-KZXRXFMCSA-N. The full InChI is InChI=1S/C124H123N21O15/c1-71-44-48-91-116(153)90-36-23-29-78(118(90)160-117(91)73(71)3)61-108(148)127-55-24-56-145-115-89-35-14-20-43-105(89)144(70-80-28-7-9-33-87(80)114(115)141-142-145)112(152)52-50-106(146)126-54-22-21-41-99(135-109(149)67-132-107(147)51-53-111(151)143-69-79-27-6-5-25-75(79)45-46-76-26-8-19-42-104(76)143)121(156)133-68-110(150)136-101(58-81-64-129-94-37-15-10-30-84(81)94)123(158)140-103(60-83-66-131-96-39-17-12-32-86(83)96)124(159)139-102(59-82-65-130-95-38-16-11-31-85(82)95)122(157)134-74(4)120(155)138-100(119(125)154)62-93-88-34-13-18-40-98(88)137-113(93)77-47-49-97-92(57-77)72(2)63-128-97/h5-20,23,25-40,42-49,57,63-66,74,90,99-103,118,128-131,137H,21-22,24,41,50-56,58-62,67-70H2,1-4H3,(H2,125,154)(H,126,146)(H,127,148)(H,132,147)(H,133,156)(H,134,157)(H,135,149)(H,136,150)(H,138,155)(H,139,159)(H,140,158)/b46-45-.

What are the key properties of N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide?

N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide has a molecular weight of 2147.48 g/mol, XLogP of 13.29, 42 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[[1-[[1-[[1-[[1-amino-3-[2-(3-methyl-1H-indol-5-yl)-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-[[4-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-4-oxobutanoyl]amino]acetyl]amino]-6-[[4-[5-[3-[[2-(5,6-dimethyl-9-oxo-4a,9a-dihydroxanthen-4-yl)acetyl]amino]propyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]hexanamide is sourced from PubChem (CID 146397902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).