(4S)-5-[(2S)-2-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-[(2S)-2-[(2S)-6-amino-2-[(2S)-4-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanamido]propanamido]butanamido]hexanamido]-3-hydroxypropanamido]-5-oxopentanoic acid

• ChemBase编号: 133717
• 分子式: C74H133N25O23
• 平均质量: 1741.00152
• 单一同位素质量: 1740.00061564
• SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)N
• Canonical SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CCCCN)CCCCN)CCCNC(=N)N)[C@H](CC)C)CC(C)C)CCC(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CC(=O)N)CC(=O)N)CCC(=O)N
• InChI: InChI=1S/C74H133N25O23/c1-6-39(4)58(71(119)86-36-56(105)87-42(21-15-31-85-74(83)84)61(109)88-43(18-8-12-28-76)62(110)90-45(20-10-14-30-78)65(113)98-59(40(5)101)73(121)122)97-68(116)48(33-38(2)3)95-70(118)52-22-16-32-99(52)72(120)47(24-26-57(106)107)92-69(117)51(37-100)96-63(111)44(19-9-13-29-77)89-64(112)46(23-25-53(80)102)91-66(114)50(35-55(82)104)94-67(115)49(34-54(81)103)93-60(108)41(79)17-7-11-27-75/h38-52,58-59,100-101H,6-37,75-79H2,1-5H3,(H2,80,102)(H2,81,103)(H2,82,104)(H,86,119)(H,87,105)(H,88,109)(H,89,112)(H,90,110)(H,91,114)(H,92,117)(H,93,108)(H,94,115)(H,95,118)(H,96,111)(H,97,116)(H,98,113)(H,106,107)(H,121,122)(H4,83,84,85)/t39-,40+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-/m0/s1
• InChIKey: ZOAMLYRGMMOBAS-GDMZPDKKSA-N

名称和登记号

名称

• IUPAC标准名: (4S)-5-[(2S)-2-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-[(2S)-2-[(2S)-6-amino-2-[(2S)-4-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanamido]propanamido]butanamido]hexanamido]-3-hydroxypropanamido]-5-oxopentanoic acid
• IUPAC传统名: (4S)-5-[(2S)-2-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-[(2S)-2-[(2S)-6-amino-2-[(2S)-4-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanamido]propanamido]butanamido]hexanamido]-3-hydroxypropanamido]-5-oxopentanoic acid
• 别名: Fibronectin Fragment 1977-1991

登记号

• MDL号: MFCD00672458
• PubChem SID: 162227994
• PubChem CID: 25074476

理论计算性质

• Acid pKa: 3.1528397
• 质子受体: 31
• 质子供体: 28
• LogD (pH = 5.5): -28.795809
• LogD (pH = 7.4): -25.497908
• Log P: -17.692505
• 摩尔折射率: 442.4253 cm^3
• 极化性: 170.46016 Å^3
• 极化表面积: 834.94 Å^2
• 可自由旋转的化学键: 64
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: human ... FN1(2335)

产品相关信息

• 纯度: ≥97% (HPLC)

详细说明

Sigma Aldrich - F7049

Amino Acid Sequence
Lys-Asn-Asn-Gln-Lys-Ser-Glu-Pro-Leu-Ile-Gly-Arg-Lys-Lys-Thr
Biochem/physiol Actions
Mediates cell adhesion; promotes neuronal adhesion and neurite outgrowth. Binds to the cell surface heparan sulfate proteoglycan (HSPG).
Other Notes
Peptide derived from the C-terminal heparin-binding domain of fibronectin.