6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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 122591475

IUPAC6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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)c2cccc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c3nc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c4nc(NC(=O)[C@H](N)CCCN=C(N)N)ccc4OC)ccc3OC)n2)cc1C(N)=O
InChIInChI=1S/C52H74N24O11/c1-85-33-16-15-26(25-27(33)41(54)77)67-43(79)30(11-6-22-64-50(57)58)69-44(80)29-10-4-14-36(68-29)75-45(81)31(12-7-23-65-51(59)60)70-48(84)40-35(87-3)18-20-38(73-40)76-46(82)32(13-8-24-66-52(61)62)71-47(83)39-34(86-2)17-19-37(72-39)74-42(78)28(53)9-5-21-63-49(55)56/h4,10,14-20,25,28,30-32H,5-9,11-13,21-24,53H2,1-3H3,(H2,54,77)(H,67,79)(H,69,80)(H,70,84)(H,71,83)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)(H,68,75,81)(H,72,74,78)(H,73,76,82)/t28-,30-,31-,32-/m1/s1
InChIKeyZOUREADCBCLYNF-PYTKSMOKSA-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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 122591475) 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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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 CID122591475
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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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)c2cccc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c3nc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c4nc(NC(=O)[C@H](N)CCCN=C(N)N)ccc4OC)ccc3OC)n2)cc1C(N)=O
InChIInChI=1S/C52H74N24O11/c1-85-33-16-15-26(25-27(33)41(54)77)67-43(79)30(11-6-22-64-50(57)58)69-44(80)29-10-4-14-36(68-29)75-45(81)31(12-7-23-65-51(59)60)70-48(84)40-35(87-3)18-20-38(73-40)76-46(82)32(13-8-24-66-52(61)62)71-47(83)39-34(86-2)17-19-37(72-39)74-42(78)28(53)9-5-21-63-49(55)56/h4,10,14-20,25,28,30-32H,5-9,11-13,21-24,53H2,1-3H3,(H2,54,77)(H,67,79)(H,69,80)(H,70,84)(H,71,83)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)(H,68,75,81)(H,72,74,78)(H,73,76,82)/t28-,30-,31-,32-/m1/s1
InChIKeyZOUREADCBCLYNF-PYTKSMOKSA-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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

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Related Compounds

6-[[(2R)-2-[[5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[3-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methoxypyridine-2-carboxamide
CID 122591470
5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[3-[[(2R)-1-[3-[[(2R)-1-(3-carbamoyl-4-ethoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methoxybenzamide
CID 89215313
N-[(2R)-1-[3-[[(2R)-1-[3-[[(2R)-5-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-[[(2R)-2,6-diaminohexanoyl]amino]-2-methoxybenzamide
CID 122591473
5-[[(2R)-2-[[5-[[(2R)-2-[[5-[[(2R)-2-[[5-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzamide
CID 53339258
5-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[6-(carbamoylamino)-1-[3-[[1-[3-[[1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]-2-methoxybenzamide
CID 123291343
N-[(2S)-1-[3-[[(2S)-7-amino-1-[3-[[(2S)-6-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxoheptan-2-yl]carbamoyl]-4-methoxyanilino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]-5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzamide
CID 134323172
3-[[(2R)-2-[[5-[[(2R)-2-[[5-[[(2R)-2-[[5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-methoxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methoxybenzamide
CID 89215303
5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[3-[[(2R)-1-[3-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]anilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-hydroxyanilino]-5-[[(1S)-1,2-diaminoethyl]amino]-1-oxopentan-2-yl]-2-hydroxybenzamide
CID 131994591
N-[(2S)-5-amino-1-[3-[[(2S)-6-amino-1-[3-[[(2S)-5-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-5-[[(2S)-2,5-diaminopentanoyl]amino]-2-methoxybenzamide
CID 134323178
5-[(2-aminoacetyl)amino]-N-[2-[3-[[1-[3-[[2-(3-carbamoyl-4-methoxyanilino)-2-oxoethyl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]-2-methoxybenzamide
CID 123431985
5-[[(2R)-2-[[5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-chlorobenzoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[3-[[(2R)-1-(3-carbamoyl-4-chloroanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-chloroanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylbenzamide
CID 89215321
2-[4-[[6-amino-2-[[5-[[6-amino-2-[[5-[[6-amino-2-[[5-(2,6-diaminohexanoylamino)-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-carbamoylphenoxy]acetic acid
CID 76733399

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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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 122591475) is 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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)c2cccc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c3nc(NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c4nc(NC(=O)[C@H](N)CCCN=C(N)N)ccc4OC)ccc3OC)n2)cc1C(N)=O.
What is the InChIKey of 6-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[[6-[[(2R)-1-[[6-[[(2R)-1-(3-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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 ZOUREADCBCLYNF-PYTKSMOKSA-N. The full InChI is InChI=1S/C52H74N24O11/c1-85-33-16-15-26(25-27(33)41(54)77)67-43(79)30(11-6-22-64-50(57)58)69-44(80)29-10-4-14-36(68-29)75-45(81)31(12-7-23-65-51(59)60)70-48(84)40-35(87-3)18-20-38(73-40)76-46(82)32(13-8-24-66-52(61)62)71-47(83)39-34(86-2)17-19-37(72-39)74-42(78)28(53)9-5-21-63-49(55)56/h4,10,14-20,25,28,30-32H,5-9,11-13,21-24,53H2,1-3H3,(H2,54,77)(H,67,79)(H,69,80)(H,70,84)(H,71,83)(H4,55,56,63)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)(H,68,75,81)(H,72,74,78)(H,73,76,82)/t28-,30-,31-,32-/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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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-carbamoyl-4-methoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-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 122591475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).