(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide

C60H92N18O24 — CID 175663360

About (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide

(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide (PubChem CID 175663360) has the molecular formula C60H92N18O24 and a molecular weight of 1449.50 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide.

Molecular Properties

• Compound Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide
• PubChem CID: 175663360
• Molecular Formula: C60H92N18O24
• Molecular Weight: 1449.50 g/mol
• Exact Mass: 1448.65
• IUPAC Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)c1cccc(O)c1O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN(O)C=O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]1CCCN(O)C1=O)C(C)C)[C@@H](C)O
• InChI: InChI=1S/C60H92N18O24/c1-28(2)18-37(71-56(96)40(25-80)73-58(98)47(30(5)82)74-45(88)22-63-43(86)21-64-50(90)33-10-7-13-41(84)49(33)89)53(93)76-48(31(6)83)59(99)72-38(19-32-20-62-26-66-32)54(94)75-46(29(3)4)57(97)69-35(14-15-42(61)85)52(92)68-34(11-8-16-77(101)27-81)51(91)65-23-44(87)67-39(24-79)55(95)70-36-12-9-17-78(102)60(36)100/h7,10,13,20,26-31,34-40,46-48,79-80,82-84,89,101-102H,8-9,11-12,14-19,21-25H2,1-6H3,(H2,61,85)(H,62,66)(H,63,86)(H,64,90)(H,65,91)(H,67,87)(H,68,92)(H,69,97)(H,70,95)(H,71,96)(H,72,99)(H,73,98)(H,74,88)(H,75,94)(H,76,93)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,46+,47+,48+/m1/s1
• InChIKey: LMHVKTXIFYTRPA-RVSFAPBMSA-N
• XLogP: -9.77
• TPSA: 652.53 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 25
• Rotatable Bonds: 43
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.50
LogP ≤ 5	-9.77
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide?

The IUPAC name of (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide (CID 175663360) is (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide.

What is the SMILES notation for (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide?

The canonical SMILES for (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide is CC(C)C[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)c1cccc(O)c1O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN(O)C=O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]1CCCN(O)C1=O)C(C)C)[C@@H](C)O.

What is the InChIKey of (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide?

The InChIKey is LMHVKTXIFYTRPA-RVSFAPBMSA-N. The full InChI is InChI=1S/C60H92N18O24/c1-28(2)18-37(71-56(96)40(25-80)73-58(98)47(30(5)82)74-45(88)22-63-43(86)21-64-50(90)33-10-7-13-41(84)49(33)89)53(93)76-48(31(6)83)59(99)72-38(19-32-20-62-26-66-32)54(94)75-46(29(3)4)57(97)69-35(14-15-42(61)85)52(92)68-34(11-8-16-77(101)27-81)51(91)65-23-44(87)67-39(24-79)55(95)70-36-12-9-17-78(102)60(36)100/h7,10,13,20,26-31,34-40,46-48,79-80,82-84,89,101-102H,8-9,11-12,14-19,21-25H2,1-6H3,(H2,61,85)(H,62,66)(H,63,86)(H,64,90)(H,65,91)(H,67,87)(H,68,92)(H,69,97)(H,70,95)(H,71,96)(H,72,99)(H,73,98)(H,74,88)(H,75,94)(H,76,93)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,46+,47+,48+/m1/s1.

What are the key properties of (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide?

(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide has a molecular weight of 1449.50 g/mol, XLogP of -9.77, 43 rotatable bonds, 23 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R)-2-[[(2R)-2-[[(2S,3R)-2-[[2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-N-[(2R)-5-[formyl(hydroxy)amino]-1-[[2-[[(2R)-3-hydroxy-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]pentanediamide is sourced from PubChem (CID 175663360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).