2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide

C25H41N19O8 — CID 59991720

About 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide

2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide (PubChem CID 59991720) has the molecular formula C25H41N19O8 and a molecular weight of 735.73 g/mol. Its IUPAC name is 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide.

Molecular Properties

• Compound Name: 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide
• PubChem CID: 59991720
• Molecular Formula: C25H41N19O8
• Molecular Weight: 735.73 g/mol
• Exact Mass: 735.34
• IUPAC Name: 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide
• SMILES: CC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)C(N)C(N)=O)c1ccccc1
• InChI: InChI=1S/C25H41N19O8/c1-7(45)17(48)36-10(8-5-3-2-4-6-8)18(49)38-14(42-23(30)31)20(51)40-16(44-25(34)35)21(52)39-15(43-24(32)33)19(50)37-13(41-22(28)29)11(46)9(26)12(27)47/h2-7,9-10,13-16,45H,26H2,1H3,(H2,27,47)(H,36,48)(H,37,50)(H,38,49)(H,39,52)(H,40,51)(H4,28,29,41)(H4,30,31,42)(H4,32,33,43)(H4,34,35,44)
• InChIKey: VKUVJCQVMVDMKH-UHFFFAOYSA-N
• XLogP: -10.53
• TPSA: 509.51 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	735.73
LogP ≤ 5	-10.53
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', '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-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide?

The IUPAC name of 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide (CID 59991720) is 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide.

What is the SMILES notation for 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide?

The canonical SMILES for 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide is CC(O)C(=O)NC(C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)NC(N=C(N)N)C(=O)C(N)C(N)=O)c1ccccc1.

What is the InChIKey of 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide?

The InChIKey is VKUVJCQVMVDMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N19O8/c1-7(45)17(48)36-10(8-5-3-2-4-6-8)18(49)38-14(42-23(30)31)20(51)40-16(44-25(34)35)21(52)39-15(43-24(32)33)19(50)37-13(41-22(28)29)11(46)9(26)12(27)47/h2-7,9-10,13-16,45H,26H2,1H3,(H2,27,47)(H,36,48)(H,37,50)(H,38,49)(H,39,52)(H,40,51)(H4,28,29,41)(H4,30,31,42)(H4,32,33,43)(H4,34,35,44).

What are the key properties of 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide?

2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide has a molecular weight of 735.73 g/mol, XLogP of -10.53, 18 rotatable bonds, 16 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(diaminomethylideneamino)-4-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(diaminomethylideneamino)-2-[[2-(2-hydroxypropanoylamino)-2-phenylacetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-oxobutanamide is sourced from PubChem (CID 59991720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).