(2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate

C108H178N8O43 — CID 167689525

IUPAC(2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)C(CCC(=O)NC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(COC(=O)N(C)CCN(C)C(=O)Oc2ccc3ccc(=O)oc3c2)cc1)C(C)C)NC(=O)CCOCCOCCOCCOCCCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C108H178N8O43/c1-88(2)104(105(125)112-94(10-6-26-110-106(109)126)97(119)85-89-12-14-90(15-13-89)87-157-107(127)114(3)28-29-115(4)108(128)158-93-18-16-91-17-23-103(124)159-98(91)86-93)113-99(120)20-19-95(111-100(121)25-32-132-37-40-136-45-43-134-38-35-130-30-7-9-92(117)24-27-116-101(122)21-22-102(116)123)96(118)11-8-31-131-36-39-135-44-46-138-49-50-140-53-54-142-57-58-144-61-62-146-65-66-148-69-70-150-73-74-152-77-78-154-81-82-156-84-83-155-80-79-153-76-75-151-72-71-149-68-67-147-64-63-145-60-59-143-56-55-141-52-51-139-48-47-137-42-41-133-34-33-129-5/h12-18,21-23,86,88,94-95,104H,6-11,19-20,24-85,87H2,1-5H3,(H,111,121)(H,112,125)(H,113,120)(H3,109,110,126)/t94-,95?,104?/m0/s1
InChIKeyWSILFRSCSNBHPU-QRGYUTJPSA-N
MW2276.63 g/mol
LogP3.44
Rot. Bonds114

About (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate

(2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate (PubChem CID 167689525) has the molecular formula C108H178N8O43 and a molecular weight of 2276.63 g/mol. Its IUPAC name is (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name(2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
PubChem CID167689525
Molecular FormulaC108H178N8O43
Molecular Weight2276.63 g/mol
Exact Mass2275.20
IUPAC Name(2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)C(CCC(=O)NC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(COC(=O)N(C)CCN(C)C(=O)Oc2ccc3ccc(=O)oc3c2)cc1)C(C)C)NC(=O)CCOCCOCCOCCOCCCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C108H178N8O43/c1-88(2)104(105(125)112-94(10-6-26-110-106(109)126)97(119)85-89-12-14-90(15-13-89)87-157-107(127)114(3)28-29-115(4)108(128)158-93-18-16-91-17-23-103(124)159-98(91)86-93)113-99(120)20-19-95(111-100(121)25-32-132-37-40-136-45-43-134-38-35-130-30-7-9-92(117)24-27-116-101(122)21-22-102(116)123)96(118)11-8-31-131-36-39-135-44-46-138-49-50-140-53-54-142-57-58-144-61-62-146-65-66-148-69-70-150-73-74-152-77-78-154-81-82-156-84-83-155-80-79-153-76-75-151-72-71-149-68-67-147-64-63-145-60-59-143-56-55-141-52-51-139-48-47-137-42-41-133-34-33-129-5/h12-18,21-23,86,88,94-95,104H,6-11,19-20,24-85,87H2,1-5H3,(H,111,121)(H,112,125)(H,113,120)(H3,109,110,126)/t94-,95?,104?/m0/s1
InChIKeyWSILFRSCSNBHPU-QRGYUTJPSA-N
XLogP3.44
TPSA578.74 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds114
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002276.63
LogP ≤ 53.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate with MolForge

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Related Compounds

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 167587537
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]-N-methylcarbamate
CID 178159559
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate
CID 178159552
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 122472539
(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanamide
CID 142800854
[4-[[5-amino-2-[[2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 123572313
[4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 146327661
[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methyl (4-nitrophenyl) carbonate
CID 157273647
[4-[2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]hexanoylamino]phenyl]methyl N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 145158613
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
CID 118265178
[4-[[5-(carbamoylamino)-2-[[(2S)-2-[3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
CID 163384667
[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
CID 176800025

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate (CID 167689525) is (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)C(CCC(=O)NC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(COC(=O)N(C)CCN(C)C(=O)Oc2ccc3ccc(=O)oc3c2)cc1)C(C)C)NC(=O)CCOCCOCCOCCOCCCC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is WSILFRSCSNBHPU-QRGYUTJPSA-N. The full InChI is InChI=1S/C108H178N8O43/c1-88(2)104(105(125)112-94(10-6-26-110-106(109)126)97(119)85-89-12-14-90(15-13-89)87-157-107(127)114(3)28-29-115(4)108(128)158-93-18-16-91-17-23-103(124)159-98(91)86-93)113-99(120)20-19-95(111-100(121)25-32-132-37-40-136-45-43-134-38-35-130-30-7-9-92(117)24-27-116-101(122)21-22-102(116)123)96(118)11-8-31-131-36-39-135-44-46-138-49-50-140-53-54-142-57-58-144-61-62-146-65-66-148-69-70-150-73-74-152-77-78-154-81-82-156-84-83-155-80-79-153-76-75-151-72-71-149-68-67-147-64-63-145-60-59-143-56-55-141-52-51-139-48-47-137-42-41-133-34-33-129-5/h12-18,21-23,86,88,94-95,104H,6-11,19-20,24-85,87H2,1-5H3,(H,111,121)(H,112,125)(H,113,120)(H3,109,110,126)/t94-,95?,104?/m0/s1.
What are the key properties of (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate?
(2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 2276.63 g/mol, XLogP of 3.44, 114 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) N-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[2-[[4-[3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoyl]amino]-3-methylbutanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 167689525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).