(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid

C33H58N14O7 — CID 175724299

About (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid (PubChem CID 175724299) has the molecular formula C33H58N14O7 and a molecular weight of 762.92 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid
• PubChem CID: 175724299
• Molecular Formula: C33H58N14O7
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.46
• IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid
• SMILES: NCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
• InChI: InChI=1S/C33H58N14O7/c34-14-4-10-22(44-26(48)19-43-27(49)21(36)18-20-8-2-1-3-9-20)28(50)45-23(12-6-16-41-32(37)38)29(51)46-24(13-7-17-42-33(39)40)30(52)47-25(31(53)54)11-5-15-35/h1-3,8-9,21-25H,4-7,10-19,34-36H2,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H,47,52)(H,53,54)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-,25-/m0/s1
• InChIKey: BDBMDXOBVGYYOB-KEOOTSPTSA-N
• XLogP: -4.72
• TPSA: 389.66 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	762.92
LogP ≤ 5	-4.72
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	11

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 (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid?

The IUPAC name of (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid (CID 175724299) is (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid.

What is the SMILES notation for (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid?

The canonical SMILES for (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid is NCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.

What is the InChIKey of (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid?

The InChIKey is BDBMDXOBVGYYOB-KEOOTSPTSA-N. The full InChI is InChI=1S/C33H58N14O7/c34-14-4-10-22(44-26(48)19-43-27(49)21(36)18-20-8-2-1-3-9-20)28(50)45-23(12-6-16-41-32(37)38)29(51)46-24(13-7-17-42-33(39)40)30(52)47-25(31(53)54)11-5-15-35/h1-3,8-9,21-25H,4-7,10-19,34-36H2,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H,47,52)(H,53,54)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-,25-/m0/s1.

What are the key properties of (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid?

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid has a molecular weight of 762.92 g/mol, XLogP of -4.72, 27 rotatable bonds, 13 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 175724299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).