(3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide

C60H117N13O9 — CID 10464002

About (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide

(3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide (PubChem CID 10464002) has the molecular formula C60H117N13O9 and a molecular weight of 1164.68 g/mol. Its IUPAC name is (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide.

Molecular Properties

• Compound Name: (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide
• PubChem CID: 10464002
• Molecular Formula: C60H117N13O9
• Molecular Weight: 1164.68 g/mol
• Exact Mass: 1163.91
• IUPAC Name: (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide
• SMILES: CC(C)C[C@H](CC(N)=O)NC(=O)C[C@@H](CCCCN)NC(=O)C[C@H](NC(=O)C[C@@H](CC(C)C)NC(=O)C[C@@H](CCCCN)NC(=O)C[C@H](NC(=O)C[C@@H](CC(C)C)NC(=O)C[C@@H](CCCCN)NC(=O)C[C@H](N)C(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C60H117N13O9/c1-37(2)25-46(28-52(65)74)69-53(75)30-44(20-14-17-23-62)67-59(81)35-50(41(9)10)72-57(79)33-48(27-39(5)6)71-55(77)31-45(21-15-18-24-63)68-60(82)36-51(42(11)12)73-56(78)32-47(26-38(3)4)70-54(76)29-43(19-13-16-22-61)66-58(80)34-49(64)40(7)8/h37-51H,13-36,61-64H2,1-12H3,(H2,65,74)(H,66,80)(H,67,81)(H,68,82)(H,69,75)(H,70,76)(H,71,77)(H,72,79)(H,73,78)/t43-,44-,45-,46-,47-,48-,49+,50+,51+/m1/s1
• InChIKey: CIZWXVXYINTCGJ-RFLGDRLCSA-N
• XLogP: 3.68
• TPSA: 379.97 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Rotatable Bonds: 47
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1164.68
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide?

The IUPAC name of (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide (CID 10464002) is (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide.

What is the SMILES notation for (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide?

The canonical SMILES for (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide is CC(C)C[C@H](CC(N)=O)NC(=O)C[C@@H](CCCCN)NC(=O)C[C@H](NC(=O)C[C@@H](CC(C)C)NC(=O)C[C@@H](CCCCN)NC(=O)C[C@H](NC(=O)C[C@@H](CC(C)C)NC(=O)C[C@@H](CCCCN)NC(=O)C[C@H](N)C(C)C)C(C)C)C(C)C.

What is the InChIKey of (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide?

The InChIKey is CIZWXVXYINTCGJ-RFLGDRLCSA-N. The full InChI is InChI=1S/C60H117N13O9/c1-37(2)25-46(28-52(65)74)69-53(75)30-44(20-14-17-23-62)67-59(81)35-50(41(9)10)72-57(79)33-48(27-39(5)6)71-55(77)31-45(21-15-18-24-63)68-60(82)36-51(42(11)12)73-56(78)32-47(26-38(3)4)70-54(76)29-43(19-13-16-22-61)66-58(80)34-49(64)40(7)8/h37-51H,13-36,61-64H2,1-12H3,(H2,65,74)(H,66,80)(H,67,81)(H,68,82)(H,69,75)(H,70,76)(H,71,77)(H,72,79)(H,73,78)/t43-,44-,45-,46-,47-,48-,49+,50+,51+/m1/s1.

What are the key properties of (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide?

(3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide has a molecular weight of 1164.68 g/mol, XLogP of 3.68, 47 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-amino-N-[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-[[(3S)-1-[[(3R)-7-amino-1-[[(3R)-1-amino-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]amino]-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-methyl-1-oxohexan-3-yl]-3-[[(3S)-3-amino-4-methylpentanoyl]amino]heptanamide is sourced from PubChem (CID 10464002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).