6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide

C52H74N24O11 — CID 122591469

IUPAC6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c2nc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c3nc(NC(=O)[C@H](N)CCCN=C(N)N)ccc3OC)ccc2OC)nc1C(=O)N[C@H](CCCN=C(N)N)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C52H74N24O11/c1-85-32-15-18-35(74-42(78)28(53)11-5-21-63-49(55)56)71-38(32)47(83)69-30(13-7-23-65-51(59)60)44(80)76-37-20-17-34(87-3)40(73-37)48(84)70-31(14-8-24-66-52(61)62)45(81)75-36-19-16-33(86-2)39(72-36)46(82)68-29(12-6-22-64-50(57)58)43(79)67-27-10-4-9-26(25-27)41(54)77/h4,9-10,15-20,25,28-31H,5-8,11-14,21-24,53H2,1-3H3,(H2,54,77)(H,67,79)(H,68,82)(H,69,83)(H,70,84)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)(H,71,74,78)(H,72,75,81)(H,73,76,80)/t28-,29-,30-,31-/m1/s1
InChIKeyMUJXORFXLBUWGQ-OMRVPHBLSA-N
MW1211.32 g/mol
LogP-3.31
Rot. Bonds34

About 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide

6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide (PubChem CID 122591469) has the molecular formula C52H74N24O11 and a molecular weight of 1211.32 g/mol. Its IUPAC name is 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide
PubChem CID122591469
Molecular FormulaC52H74N24O11
Molecular Weight1211.32 g/mol
Exact Mass1210.60
IUPAC Name6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c2nc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c3nc(NC(=O)[C@H](N)CCCN=C(N)N)ccc3OC)ccc2OC)nc1C(=O)N[C@H](CCCN=C(N)N)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C52H74N24O11/c1-85-32-15-18-35(74-42(78)28(53)11-5-21-63-49(55)56)71-38(32)47(83)69-30(13-7-23-65-51(59)60)44(80)76-37-20-17-34(87-3)40(73-37)48(84)70-31(14-8-24-66-52(61)62)45(81)75-36-19-16-33(86-2)39(72-36)46(82)68-29(12-6-22-64-50(57)58)43(79)67-27-10-4-9-26(25-27)41(54)77/h4,9-10,15-20,25,28-31H,5-8,11-14,21-24,53H2,1-3H3,(H2,54,77)(H,67,79)(H,68,82)(H,69,83)(H,70,84)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)(H,71,74,78)(H,72,75,81)(H,73,76,80)/t28-,29-,30-,31-/m1/s1
InChIKeyMUJXORFXLBUWGQ-OMRVPHBLSA-N
XLogP-3.31
TPSA596.77 Ų
H-Bond Donors17
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.32
LogP ≤ 5-3.31
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1019

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'}

Analyze 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide?
The IUPAC name of 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide (CID 122591469) is 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide is COc1ccc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c2nc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c3nc(NC(=O)[C@H](N)CCCN=C(N)N)ccc3OC)ccc2OC)nc1C(=O)N[C@H](CCCN=C(N)N)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide?
The InChIKey is MUJXORFXLBUWGQ-OMRVPHBLSA-N. The full InChI is InChI=1S/C52H74N24O11/c1-85-32-15-18-35(74-42(78)28(53)11-5-21-63-49(55)56)71-38(32)47(83)69-30(13-7-23-65-51(59)60)44(80)76-37-20-17-34(87-3)40(73-37)48(84)70-31(14-8-24-66-52(61)62)45(81)75-36-19-16-33(86-2)39(72-36)46(82)68-29(12-6-22-64-50(57)58)43(79)67-27-10-4-9-26(25-27)41(54)77/h4,9-10,15-20,25,28-31H,5-8,11-14,21-24,53H2,1-3H3,(H2,54,77)(H,67,79)(H,68,82)(H,69,83)(H,70,84)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)(H,71,74,78)(H,72,75,81)(H,73,76,80)/t28-,29-,30-,31-/m1/s1.
What are the key properties of 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide?
6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide has a molecular weight of 1211.32 g/mol, XLogP of -3.31, 34 rotatable bonds, 17 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoylanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-5-methoxy-2-pyridinyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 122591469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).