(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide

C33H50N10O5 — CID 10985236

About (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide

(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide (PubChem CID 10985236) has the molecular formula C33H50N10O5 and a molecular weight of 666.83 g/mol. Its IUPAC name is (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide.

Molecular Properties

• Compound Name: (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide
• PubChem CID: 10985236
• Molecular Formula: C33H50N10O5
• Molecular Weight: 666.83 g/mol
• Exact Mass: 666.40
• IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide
• SMILES: CCN(CC)C(=O)CCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)N=C(N)N
• InChI: InChI=1S/C33H50N10O5/c1-4-43(5-2)28(45)17-19-42(3)31(48)27(21-22-10-7-6-8-11-22)40-29(46)25(12-9-18-38-32(34)35)39-30(47)26(41-33(36)37)20-23-13-15-24(44)16-14-23/h6-8,10-11,13-16,25-27,44H,4-5,9,12,17-21H2,1-3H3,(H,39,47)(H,40,46)(H4,34,35,38)(H4,36,37,41)/t25-,26+,27+/m1/s1
• InChIKey: RPWPCGFZCWXJMT-PVHODMMVSA-N
• XLogP: -0.44
• TPSA: 247.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.83
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

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 (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide?

The IUPAC name of (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide (CID 10985236) is (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide.

What is the SMILES notation for (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide?

The canonical SMILES for (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide is CCN(CC)C(=O)CCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)N=C(N)N.

What is the InChIKey of (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide?

The InChIKey is RPWPCGFZCWXJMT-PVHODMMVSA-N. The full InChI is InChI=1S/C33H50N10O5/c1-4-43(5-2)28(45)17-19-42(3)31(48)27(21-22-10-7-6-8-11-22)40-29(46)25(12-9-18-38-32(34)35)39-30(47)26(41-33(36)37)20-23-13-15-24(44)16-14-23/h6-8,10-11,13-16,25-27,44H,4-5,9,12,17-21H2,1-3H3,(H,39,47)(H,40,46)(H4,34,35,38)(H4,36,37,41)/t25-,26+,27+/m1/s1.

What are the key properties of (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide?

(2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide has a molecular weight of 666.83 g/mol, XLogP of -0.44, 19 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[3-(diethylamino)-3-oxopropyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]pentanamide is sourced from PubChem (CID 10985236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).