2-(2-{2-[6-amino-2-(2-{6-amino-2-[6-amino-2-(6-amino-2-{[1-(2-{2-[2-(2-amino-3-sulfanylpropanamido)acetamido]-3-(4-hydroxyphenyl)propanamido}acetyl)pyrrolidin-2-yl]formamido}hexanamido)hexanamido]hexanamido}-5-carbamimidamidopentanamido)hexanamido]-3-methylbutanamido}acetamido)acetic acid

• ChemBase ID: 131634
• Molecular Formular: C60H104N20O15S
• Molecular Mass: 1377.65776
• Monoisotopic Mass: 1376.77107373
• SMILES: CC(C)C(C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)CNC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(CS)N
• Canonical SMILES: NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C)CCCCN)CCCNC(=N)N)CCCCN)NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(CS)N)CCCCN
• InChI: InChI=1S/C60H104N20O15S/c1-35(2)50(59(95)71-30-46(82)69-33-49(85)86)79-57(93)42(16-6-10-26-64)76-56(92)43(17-11-27-68-60(66)67)77-54(90)40(14-4-8-24-62)74-53(89)39(13-3-7-23-61)75-55(91)41(15-5-9-25-63)78-58(94)45-18-12-28-80(45)48(84)32-72-52(88)44(29-36-19-21-37(81)22-20-36)73-47(83)31-70-51(87)38(65)34-96/h19-22,35,38-45,50,81,96H,3-18,23-34,61-65H2,1-2H3,(H,69,82)(H,70,87)(H,71,95)(H,72,88)(H,73,83)(H,74,89)(H,75,91)(H,76,92)(H,77,90)(H,78,94)(H,79,93)(H,85,86)(H4,66,67,68)
• InChIKey: RVYGUKZYSYVROS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{2-[6-amino-2-(2-{6-amino-2-[6-amino-2-(6-amino-2-{[1-(2-{2-[2-(2-amino-3-sulfanylpropanamido)acetamido]-3-(4-hydroxyphenyl)propanamido}acetyl)pyrrolidin-2-yl]formamido}hexanamido)hexanamido]hexanamido}-5-carbamimidamidopentanamido)hexanamido]-3-methylbutanamido}acetamido)acetic acid
• IUPAC Traditional name: (2-{2-[6-amino-2-(2-{6-amino-2-[6-amino-2-(6-amino-2-{[1-(2-{2-[2-(2-amino-3-sulfanylpropanamido)acetamido]-3-(4-hydroxyphenyl)propanamido}acetyl)pyrrolidin-2-yl]formamido}hexanamido)hexanamido]hexanamido}-5-carbamimidamidopentanamido)hexanamido]-3-methylbutanamido}acetamido)acetic acid
• Synonyms: Cys-Gly-Tyr-Gly-Pro-Lys-Lys-Lys-Arg-Lys-Val-Gly-Gly

Database IDs

• CAS Number: 104914-40-1
• MDL Number: MFCD00133209
• PubChem SID: 162225911; 24892701
• PubChem CID: 5172421

CALCULATED PROPERTIES

• Acid pKa: 3.0988612
• H Acceptors: 23
• H Donor: 22
• LogD (pH = 5.5): -24.128874
• LogD (pH = 7.4): -20.766294
• Log P: -11.551476
• Molar Refractivity: 363.776 cm^3
• Polarizability: 138.70702 Å^3
• Polar Surface Area: 589.94 Å^2
• Rotatable Bonds: 48
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: ≥90% (HPLC)
• Compostion: Peptide content, ~65%

DETAILS

Sigma Aldrich - C4547

Biochem/physiol Actions
A SV40 T-antigen homolog capable of inducing nuclear transport