• ChemBase ID: 153604
• Molecular Formular: C141H225N37O47S2
• Molecular Mass: 3254.6449
• Monoisotopic Mass: 3252.57949953
• SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@H](CO)N)O
• Canonical SMILES: CSCC[C@@H](C(=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)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)CS)CO)CC(C)C)CC(=O)O)CC(C)C)CCC(=O)N)Cc1c[nH]c2c1cccc2)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@H](CO)N)CO)CCC(=O)O)C)CC(C)C)CO)CCCNC(=N)N)CC(C)C)CCC(=O)N)CO)CC(C)C)CCC(=O)N)CC(=O)O
• InChI: InChI=1S/C141H225N37O47S2/c1-64(2)44-86(163-114(198)72(17)153-136(220)111(70(13)14)176-137(221)112(71(15)16)175-121(205)84(35-39-108(192)193)162-138(222)113(73(18)184)177-134(218)98(61-182)173-128(212)92(50-74-28-30-76(185)31-29-74)154-105(189)55-150-115(199)78(142)58-179)126(210)172-97(60-181)133(217)157-80(26-22-41-148-141(146)147)117(201)164-87(45-65(3)4)122(206)158-81(32-36-102(143)186)116(200)151-56-106(190)155-96(59-180)132(216)168-88(46-66(5)6)123(207)159-83(34-38-104(145)188)119(203)170-94(52-109(194)195)130(214)161-85(40-43-227-19)120(204)166-89(47-67(7)8)124(208)169-93(51-75-54-149-79-25-21-20-24-77(75)79)129(213)160-82(33-37-103(144)187)118(202)165-90(48-68(9)10)125(209)171-95(53-110(196)197)131(215)167-91(49-69(11)12)127(211)174-99(62-183)139(223)178-42-23-27-101(178)135(219)152-57-107(191)156-100(63-226)140(224)225/h20-21,24-25,28-31,54,64-73,78,80-101,111-113,149,179-185,226H,22-23,26-27,32-53,55-63,142H2,1-19H3,(H2,143,186)(H2,144,187)(H2,145,188)(H,150,199)(H,151,200)(H,152,219)(H,153,220)(H,154,189)(H,155,190)(H,156,191)(H,157,217)(H,158,206)(H,159,207)(H,160,213)(H,161,214)(H,162,222)(H,163,198)(H,164,201)(H,165,202)(H,166,204)(H,167,215)(H,168,216)(H,169,208)(H,170,203)(H,171,209)(H,172,210)(H,173,212)(H,174,211)(H,175,205)(H,176,221)(H,177,218)(H,192,193)(H,194,195)(H,196,197)(H,224,225)(H4,146,147,148)/t72-,73+,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1
• InChIKey: LKSBQODYJOZFEE-ZJTCSODFSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Obese Gene Peptide 138-167; Leptin Fragment 138-167 human

Database IDs

• MDL Number: MFCD00798717
• PubChem SID: 162247743
• PubChem CID: 71311696

CALCULATED PROPERTIES

• Acid pKa: 2.8514369
• H Acceptors: 51
• H Donor: 48
• LogD (pH = 5.5): -23.299873
• LogD (pH = 7.4): -26.845581
• Log P: -20.849571
• Molar Refractivity: 811.2883 cm^3
• Polarizability: 315.402 Å^3
• Polar Surface Area: 1358.9 Å^2
• Rotatable Bonds: 106
• 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: >91% (HPLC)
• Empirical Formula (Hill Notation): C141H225N37O47S2

DETAILS

Sigma Aldrich - L7038

Amino Acid Sequence
Ser-Gly-Tyr-Ser-Thr-Glu-Val-Val-Ala-Leu-Ser-Arg-Leu-Gln-Gly-Ser-Leu-Gln-Asp-Met-Leu-Trp-Gln-Leu- Asp-Leu-Ser-Pro-Gly-Cys