N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide

C81H133N31O16 — CID 56955774

IUPACN-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
SMILES[H]/N=C(\N)NCCC[C@@H](C(N)=O)N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN
InChIInChI=1S/C81H133N31O16/c82-27-1-16-64(115)108(57(69(87)120)11-6-32-103-76(88)89)42-38-99-71(122)59(13-8-34-105-78(92)93)110(66(117)18-3-29-84)44-40-101-73(124)61(15-10-36-107-80(96)97)112(68(119)20-5-31-86)46-41-102-74(125)60(14-9-35-106-79(94)95)111(67(118)19-4-30-85)45-39-100-72(123)58(12-7-33-104-77(90)91)109(65(116)17-2-28-83)43-37-98-70(121)50-21-24-54-53(47-50)75(126)128-81(54)55-25-22-51(113)48-62(55)127-63-49-52(114)23-26-56(63)81/h21-26,47-49,57-61,113-114H,1-20,27-46,82-86H2,(H2,87,120)(H,98,121)(H,99,122)(H,100,123)(H,101,124)(H,102,125)(H4,88,89,103)(H4,90,91,104)(H4,92,93,105)(H4,94,95,106)(H4,96,97,107)/t57-,58-,59-,60-,61-/m0/s1
InChIKeyYAWQJLIPTLXMLA-HHKLJJFUSA-N
MW1797.16 g/mol
LogP-5.66
Rot. Bonds61

About N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide

N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide (PubChem CID 56955774) has the molecular formula C81H133N31O16 and a molecular weight of 1797.16 g/mol. Its IUPAC name is N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
PubChem CID56955774
Molecular FormulaC81H133N31O16
Molecular Weight1797.16 g/mol
Exact Mass1796.05
IUPAC NameN-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
SMILES[H]/N=C(\N)NCCC[C@@H](C(N)=O)N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN
InChIInChI=1S/C81H133N31O16/c82-27-1-16-64(115)108(57(69(87)120)11-6-32-103-76(88)89)42-38-99-71(122)59(13-8-34-105-78(92)93)110(66(117)18-3-29-84)44-40-101-73(124)61(15-10-36-107-80(96)97)112(68(119)20-5-31-86)46-41-102-74(125)60(14-9-35-106-79(94)95)111(67(118)19-4-30-85)45-39-100-72(123)58(12-7-33-104-77(90)91)109(65(116)17-2-28-83)43-37-98-70(121)50-21-24-54-53(47-50)75(126)128-81(54)55-25-22-51(113)48-62(55)127-63-49-52(114)23-26-56(63)81/h21-26,47-49,57-61,113-114H,1-20,27-46,82-86H2,(H2,87,120)(H,98,121)(H,99,122)(H,100,123)(H,101,124)(H,102,125)(H4,88,89,103)(H4,90,91,104)(H4,92,93,105)(H4,94,95,106)(H4,96,97,107)/t57-,58-,59-,60-,61-/m0/s1
InChIKeyYAWQJLIPTLXMLA-HHKLJJFUSA-N
XLogP-5.66
TPSA805.73 Ų
H-Bond Donors28
H-Bond Acceptors26
Rotatable Bonds61
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001797.16
LogP ≤ 5-5.66
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-oxopropyl]-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
CID 177476486
(2S)-2-amino-6-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]hexanoyl iodide
CID 88883607
N-[(5S)-5-amino-6-oxo-6-(4-sulfanylbutylamino)hexyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
CID 102365656
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-2-[[(2S)-5-carbamimidamido-2-[[2-[[(2S)-2-[[(2S)-2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
CID 53260270
N-(5-aminopentyl)-3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxamide
CID 155291841
N-[2-(2-aminoethoxy)ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
CID 145379120
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[2-[[(2S)-2-[3-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]pentanoyl]amino]-6-(dimethylamino)hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid
CID 134135210
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[3-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-[(N,N-dimethylcarbamimidoyl)amino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
CID 118729625
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[2-[[(2S)-2-[3-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-[(N,N-dimethylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
CID 118729629
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[2-[[(2S)-2-[3-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[(N,N'-dimethylcarbamimidoyl)amino]pentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
CID 118729632
3-(4-carboxybutanoylamino)propyl-[3-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]propyl]-methyl-(3-sulfopropyl)azanium
CID 121366839
3-aminopropyl-[3-[(2',7'-dihydroxy-3-oxospiro[2-benzofuran-1,10'-9H-anthracene]-5-carbonyl)amino]propyl]-methyl-(3-sulfopropyl)azanium
CID 140741619

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?
The IUPAC name of N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide (CID 56955774) is N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide.
What is the SMILES notation for N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?
The canonical SMILES for N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide is [H]/N=C(\N)NCCC[C@@H](C(N)=O)N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)[C@H](CCCN/C(N)=N/[H])N(CCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN)C(=O)CCCN.
What is the InChIKey of N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?
The InChIKey is YAWQJLIPTLXMLA-HHKLJJFUSA-N. The full InChI is InChI=1S/C81H133N31O16/c82-27-1-16-64(115)108(57(69(87)120)11-6-32-103-76(88)89)42-38-99-71(122)59(13-8-34-105-78(92)93)110(66(117)18-3-29-84)44-40-101-73(124)61(15-10-36-107-80(96)97)112(68(119)20-5-31-86)46-41-102-74(125)60(14-9-35-106-79(94)95)111(67(118)19-4-30-85)45-39-100-72(123)58(12-7-33-104-77(90)91)109(65(116)17-2-28-83)43-37-98-70(121)50-21-24-54-53(47-50)75(126)128-81(54)55-25-22-51(113)48-62(55)127-63-49-52(114)23-26-56(63)81/h21-26,47-49,57-61,113-114H,1-20,27-46,82-86H2,(H2,87,120)(H,98,121)(H,99,122)(H,100,123)(H,101,124)(H,102,125)(H4,88,89,103)(H4,90,91,104)(H4,92,93,105)(H4,94,95,106)(H4,96,97,107)/t57-,58-,59-,60-,61-/m0/s1.
What are the key properties of N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?
N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide has a molecular weight of 1797.16 g/mol, XLogP of -5.66, 61 rotatable bonds, 28 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-[2-[4-aminobutanoyl-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethylamino]-5-carbamimidamido-1-oxopentan-2-yl]amino]ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide is sourced from PubChem (CID 56955774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).