N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide

C34H66ClN11O5 — CID 130351961

About N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide

N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide (PubChem CID 130351961) has the molecular formula C34H66ClN11O5 and a molecular weight of 744.43 g/mol. Its IUPAC name is N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
• PubChem CID: 130351961
• Molecular Formula: C34H66ClN11O5
• Molecular Weight: 744.43 g/mol
• Exact Mass: 743.49
• IUPAC Name: N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
• SMILES: CCCCCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCN=C(N)N)C(=O)CCl)C(C)C
• InChI: InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m1/s1
• InChIKey: NHBJTTGFHCHQHS-GSTLAZBSSA-N
• XLogP: 0.77
• TPSA: 288.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.43
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide?

The IUPAC name of N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide (CID 130351961) is N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide.

What is the SMILES notation for N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide?

The canonical SMILES for N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide is CCCCCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCN=C(N)N)C(=O)CCl)C(C)C.

What is the InChIKey of N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide?

The InChIKey is NHBJTTGFHCHQHS-GSTLAZBSSA-N. The full InChI is InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m1/s1.

What are the key properties of N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide?

N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide has a molecular weight of 744.43 g/mol, XLogP of 0.77, 30 rotatable bonds, 9 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide is sourced from PubChem (CID 130351961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).