(4S)-4-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-4-methylpentanamido]acetamido}acetamido)-3-methylbutanamido]-4-methylpentanamido]-4-{[(1S)-1-{[(1S)-1-[({[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

• ChemBase ID: 153603
• Molecular Formular: C65H103N15O26
• Molecular Mass: 1510.59822
• Monoisotopic Mass: 1509.71986849
• SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)N)O
• Canonical SMILES: OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CO)C)CCC(=O)O)CC(C)C)C(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)O)N)CC(C)C)CC(=O)O
• InChI: InChI=1S/C65H103N15O26/c1-29(2)19-39(73-62(102)45(28-82)78-61(101)42(23-51(92)93)74-60(100)41(21-31(5)6)76-64(104)53(34(10)83)80-55(95)37(66)15-17-49(88)89)56(96)68-24-46(85)67-25-48(87)79-52(32(7)8)63(103)75-40(20-30(3)4)59(99)72-38(16-18-50(90)91)58(98)70-33(9)54(94)77-44(27-81)57(97)69-26-47(86)71-43(65(105)106)22-35-11-13-36(84)14-12-35/h11-14,29-34,37-45,52-53,81-84H,15-28,66H2,1-10H3,(H,67,85)(H,68,96)(H,69,97)(H,70,98)(H,71,86)(H,72,99)(H,73,102)(H,74,100)(H,75,103)(H,76,104)(H,77,94)(H,78,101)(H,79,87)(H,80,95)(H,88,89)(H,90,91)(H,92,93)(H,105,106)/t33-,34+,37-,38-,39-,40-,41-,42-,43-,44-,45-,52-,53-/m0/s1
• InChIKey: OFBSMWPGQQSMDM-IFESIFJBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-4-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-4-methylpentanamido]acetamido}acetamido)-3-methylbutanamido]-4-methylpentanamido]-4-{[(1S)-1-{[(1S)-1-[({[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
• IUPAC Traditional name: (4S)-4-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-4-methylpentanamido]acetamido}acetamido)-3-methylbutanamido]-4-methylpentanamido]-4-{[(1S)-1-{[(1S)-1-[({[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid
• Synonyms: Obese Gene Peptide 126-140; Leptin Fragment 126-140 human

Database IDs

• MDL Number: MFCD00798729
• PubChem SID: 162247742
• PubChem CID: 16139153

CALCULATED PROPERTIES

• Acid pKa: 2.9421616
• H Acceptors: 27
• H Donor: 23
• LogD (pH = 5.5): -15.130426
• LogD (pH = 7.4): -19.977129
• Log P: -10.431454
• Molar Refractivity: 362.4616 cm^3
• Polarizability: 142.85193 Å^3
• Polar Surface Area: 663.54 Å^2
• Rotatable Bonds: 49
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: white powder

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... LEP(3952)

Product Information

• Purity: >97% (HPLC)
• Empirical Formula (Hill Notation): C65H103N15O26

DETAILS

Sigma Aldrich - L6913

Amino Acid Sequence
Glu-Thr-Leu-Asp-Ser-Leu-Gly-Gly-Val-Leu-Glu-Ala-Ser-Gly-Tyr
Application
Used to determine leptin in human serum by RIA.