2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide

C59H107N17O12 — CID 87934281

About 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide

2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide (PubChem CID 87934281) has the molecular formula C59H107N17O12 and a molecular weight of 1246.61 g/mol. Its IUPAC name is 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

• Compound Name: 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
• PubChem CID: 87934281
• Molecular Formula: C59H107N17O12
• Molecular Weight: 1246.61 g/mol
• Exact Mass: 1245.83
• IUPAC Name: 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
• SMILES: CCCC[C@@H](NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)NCC(=O)O.NC(=O)[C@H](N)Cc1ccc(O)cc1
• InChI: InChI=1S/C50H95N15O10.C9H12N2O2/c1-7-13-22-33(42(69)58-31-40(66)67)60-44(71)35(24-15-9-3)62-46(73)37(26-17-11-5)64-48(75)39(28-20-30-57-50(54)55)65-47(74)38(27-18-12-6)63-45(72)36(25-16-10-4)61-43(70)34(23-14-8-2)59-41(68)32(51)21-19-29-56-49(52)53;10-8(9(11)13)5-6-1-3-7(12)4-2-6/h32-39H,7-31,51H2,1-6H3,(H,58,69)(H,59,68)(H,60,71)(H,61,70)(H,62,73)(H,63,72)(H,64,75)(H,65,74)(H,66,67)(H4,52,53,56)(H4,54,55,57);1-4,8,12H,5,10H2,(H2,11,13)/t32-,33-,34-,35-,36-,37-,38-,39-;8-/m11/s1
• InChIKey: YHLHAAMYQYBECN-AROCZXOISA-N
• XLogP: -0.10
• TPSA: 514.26 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 15
• Rotatable Bonds: 46
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.61
LogP ≤ 5	-0.10
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	15

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide?

The IUPAC name of 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide (CID 87934281) is 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide.

What is the SMILES notation for 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide?

The canonical SMILES for 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide is CCCC[C@@H](NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)N[C@H](CCCC)C(=O)NCC(=O)O.NC(=O)[C@H](N)Cc1ccc(O)cc1.

What is the InChIKey of 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide?

The InChIKey is YHLHAAMYQYBECN-AROCZXOISA-N. The full InChI is InChI=1S/C50H95N15O10.C9H12N2O2/c1-7-13-22-33(42(69)58-31-40(66)67)60-44(71)35(24-15-9-3)62-46(73)37(26-17-11-5)64-48(75)39(28-20-30-57-50(54)55)65-47(74)38(27-18-12-6)63-45(72)36(25-16-10-4)61-43(70)34(23-14-8-2)59-41(68)32(51)21-19-29-56-49(52)53;10-8(9(11)13)5-6-1-3-7(12)4-2-6/h32-39H,7-31,51H2,1-6H3,(H,58,69)(H,59,68)(H,60,71)(H,61,70)(H,62,73)(H,63,72)(H,64,75)(H,65,74)(H,66,67)(H4,52,53,56)(H4,54,55,57);1-4,8,12H,5,10H2,(H2,11,13)/t32-,33-,34-,35-,36-,37-,38-,39-;8-/m11/s1.

What are the key properties of 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide?

2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide has a molecular weight of 1246.61 g/mol, XLogP of -0.10, 46 rotatable bonds, 17 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetic acid;(2R)-2-amino-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 87934281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).