(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid

C73H113N17O17S — CID 10176070

About (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid (PubChem CID 10176070) has the molecular formula C73H113N17O17S and a molecular weight of 1532.88 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
• PubChem CID: 10176070
• Molecular Formula: C73H113N17O17S
• Molecular Weight: 1532.88 g/mol
• Exact Mass: 1531.82
• IUPAC Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)O
• InChI: InChI=1S/C73H113N17O17S/c1-10-40(6)59(70(103)82-49(73(106)107)25-18-19-28-74)88-69(102)54(35-57(76)93)85-64(97)48(27-30-108-9)81-67(100)53(34-56(75)92)80-58(94)37-79-62(95)55(38-91)87-66(99)51(32-43-21-14-13-15-22-43)86-71(104)60(41(7)11-2)90-72(105)61(42(8)12-3)89-68(101)52(33-44-36-78-46-24-17-16-23-45(44)46)84-65(98)50(31-39(4)5)83-63(96)47-26-20-29-77-47/h13-17,21-24,36,39-42,47-55,59-61,77-78,91H,10-12,18-20,25-35,37-38,74H2,1-9H3,(H2,75,92)(H2,76,93)(H,79,95)(H,80,94)(H,81,100)(H,82,103)(H,83,96)(H,84,98)(H,85,97)(H,86,104)(H,87,99)(H,88,102)(H,89,101)(H,90,105)(H,106,107)/t40-,41-,42-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-,61-/m0/s1
• InChIKey: COOBPTWVLRCNGS-BJJUTQIVSA-N
• XLogP: -1.95
• TPSA: 546.75 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 19
• Rotatable Bonds: 49
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.88
LogP ≤ 5	-1.95
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid?

The IUPAC name of (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid (CID 10176070) is (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid.

What is the SMILES notation for (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid?

The canonical SMILES for (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid is CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)O.

What is the InChIKey of (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid?

The InChIKey is COOBPTWVLRCNGS-BJJUTQIVSA-N. The full InChI is InChI=1S/C73H113N17O17S/c1-10-40(6)59(70(103)82-49(73(106)107)25-18-19-28-74)88-69(102)54(35-57(76)93)85-64(97)48(27-30-108-9)81-67(100)53(34-56(75)92)80-58(94)37-79-62(95)55(38-91)87-66(99)51(32-43-21-14-13-15-22-43)86-71(104)60(41(7)11-2)90-72(105)61(42(8)12-3)89-68(101)52(33-44-36-78-46-24-17-16-23-45(44)46)84-65(98)50(31-39(4)5)83-63(96)47-26-20-29-77-47/h13-17,21-24,36,39-42,47-55,59-61,77-78,91H,10-12,18-20,25-35,37-38,74H2,1-9H3,(H2,75,92)(H2,76,93)(H,79,95)(H,80,94)(H,81,100)(H,82,103)(H,83,96)(H,84,98)(H,85,97)(H,86,104)(H,87,99)(H,88,102)(H,89,101)(H,90,105)(H,106,107)/t40-,41-,42-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-,61-/m0/s1.

What are the key properties of (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid?

(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid has a molecular weight of 1532.88 g/mol, XLogP of -1.95, 49 rotatable bonds, 19 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid is sourced from PubChem (CID 10176070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).