2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

C62H68N24O9 — CID 89190092

IUPAC2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILES[H]/N=C(\N)Nc1ccc(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)C(=O)O)cc1
InChIInChI=1S/C62H68N24O9/c63-56(64)75-38-18-6-32(7-19-38)44(82-52(89)46(34-10-22-40(23-11-34)77-58(67)68)84-54(91)48(36-14-26-42(27-15-36)79-60(71)72)86-62(94)95-30-31-4-2-1-3-5-31)50(87)81-45(33-8-20-39(21-9-33)76-57(65)66)51(88)83-47(35-12-24-41(25-13-35)78-59(69)70)53(90)85-49(55(92)93)37-16-28-43(29-17-37)80-61(73)74/h1-29,44-49H,30H2,(H,81,87)(H,82,89)(H,83,88)(H,84,91)(H,85,90)(H,86,94)(H,92,93)(H4,63,64,75)(H4,65,66,76)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80)
InChIKeyWSRUSZYALJCEOF-UHFFFAOYSA-N
MW1293.38 g/mol
LogP2.86
Rot. Bonds26

About 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 89190092) has the molecular formula C62H68N24O9 and a molecular weight of 1293.38 g/mol. Its IUPAC name is 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID89190092
Molecular FormulaC62H68N24O9
Molecular Weight1293.38 g/mol
Exact Mass1292.56
IUPAC Name2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILES[H]/N=C(\N)Nc1ccc(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)C(=O)O)cc1
InChIInChI=1S/C62H68N24O9/c63-56(64)75-38-18-6-32(7-19-38)44(82-52(89)46(34-10-22-40(23-11-34)77-58(67)68)84-54(91)48(36-14-26-42(27-15-36)79-60(71)72)86-62(94)95-30-31-4-2-1-3-5-31)50(87)81-45(33-8-20-39(21-9-33)76-57(65)66)51(88)83-47(35-12-24-41(25-13-35)78-59(69)70)53(90)85-49(55(92)93)37-16-28-43(29-17-37)80-61(73)74/h1-29,44-49H,30H2,(H,81,87)(H,82,89)(H,83,88)(H,84,91)(H,85,90)(H,86,94)(H,92,93)(H4,63,64,75)(H4,65,66,76)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80)
InChIKeyWSRUSZYALJCEOF-UHFFFAOYSA-N
XLogP2.86
TPSA592.53 Ų
H-Bond Donors25
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.38
LogP ≤ 52.86
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-(4-carbamimidoylphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 139908653
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
benzyl N-[2-[4-[(1S,2R)-2-aminocyclopropyl]anilino]-2-oxo-1-phenylethyl]carbamate
CID 54577296
2-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 87297584
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309293
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
methyl (2S)-3-methyl-2-[[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 134817279
2-(3-chloro-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103690041
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
2-(4-chloro-3-fluorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309299

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 89190092) is 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is [H]/N=C(\N)Nc1ccc(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)c2ccc(N/C(N)=N/[H])cc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is WSRUSZYALJCEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68N24O9/c63-56(64)75-38-18-6-32(7-19-38)44(82-52(89)46(34-10-22-40(23-11-34)77-58(67)68)84-54(91)48(36-14-26-42(27-15-36)79-60(71)72)86-62(94)95-30-31-4-2-1-3-5-31)50(87)81-45(33-8-20-39(21-9-33)76-57(65)66)51(88)83-47(35-12-24-41(25-13-35)78-59(69)70)53(90)85-49(55(92)93)37-16-28-43(29-17-37)80-61(73)74/h1-29,44-49H,30H2,(H,81,87)(H,82,89)(H,83,88)(H,84,91)(H,85,90)(H,86,94)(H,92,93)(H4,63,64,75)(H4,65,66,76)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80).
What are the key properties of 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 1293.38 g/mol, XLogP of 2.86, 26 rotatable bonds, 25 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-[[2-(4-carbamimidamidophenyl)-2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 89190092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).