(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid

C30H56N18O10 — CID 11593082

IUPAC(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O
InChIInChI=1S/C30H56N18O10/c31-16(4-1-7-38-28(32)33)25(55)45-12-21(51)41-10-19(49)43-14-23(53)47-17(5-2-8-39-29(34)35)26(56)46-13-22(52)42-11-20(50)44-15-24(54)48-18(27(57)58)6-3-9-40-30(36)37/h16-18H,1-15,31H2,(H,41,51)(H,42,52)(H,43,49)(H,44,50)(H,45,55)(H,46,56)(H,47,53)(H,48,54)(H,57,58)(H4,32,33,38)(H4,34,35,39)(H4,36,37,40)/t16-,17-,18-/m0/s1
InChIKeyLWEOWZOZCQAXOA-BZSNNMDCSA-N
MW828.89 g/mol
LogP-9.77
Rot. Bonds29

About (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 11593082) has the molecular formula C30H56N18O10 and a molecular weight of 828.89 g/mol. Its IUPAC name is (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
PubChem CID11593082
Molecular FormulaC30H56N18O10
Molecular Weight828.89 g/mol
Exact Mass828.44
IUPAC Name(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(N)=NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O
InChIInChI=1S/C30H56N18O10/c31-16(4-1-7-38-28(32)33)25(55)45-12-21(51)41-10-19(49)43-14-23(53)47-17(5-2-8-39-29(34)35)26(56)46-13-22(52)42-11-20(50)44-15-24(54)48-18(27(57)58)6-3-9-40-30(36)37/h16-18H,1-15,31H2,(H,41,51)(H,42,52)(H,43,49)(H,44,50)(H,45,55)(H,46,56)(H,47,53)(H,48,54)(H,57,58)(H4,32,33,38)(H4,34,35,39)(H4,36,37,40)/t16-,17-,18-/m0/s1
InChIKeyLWEOWZOZCQAXOA-BZSNNMDCSA-N
XLogP-9.77
TPSA489.32 Ų
H-Bond Donors16
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.89
LogP ≤ 5-9.77
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1013

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 (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid with MolForge

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Related Compounds

5-(diaminomethylideneamino)-2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]acetyl]amino]pentanoic acid
CID 18479701
6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
CID 18305116
6-amino-2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]hexanoic acid
CID 18241066
(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 10349242
2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18305296
(2S)-2-[[2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 10279423
(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 10175537
2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18219496
(2S)-2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 145454739
2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18257302
(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 10191619
2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18245421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid (CID 11593082) is (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid is NC(N)=NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is LWEOWZOZCQAXOA-BZSNNMDCSA-N. The full InChI is InChI=1S/C30H56N18O10/c31-16(4-1-7-38-28(32)33)25(55)45-12-21(51)41-10-19(49)43-14-23(53)47-17(5-2-8-39-29(34)35)26(56)46-13-22(52)42-11-20(50)44-15-24(54)48-18(27(57)58)6-3-9-40-30(36)37/h16-18H,1-15,31H2,(H,41,51)(H,42,52)(H,43,49)(H,44,50)(H,45,55)(H,46,56)(H,47,53)(H,48,54)(H,57,58)(H4,32,33,38)(H4,34,35,39)(H4,36,37,40)/t16-,17-,18-/m0/s1.
What are the key properties of (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid?
(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 828.89 g/mol, XLogP of -9.77, 29 rotatable bonds, 16 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 11593082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).